CAS RN: 16827-13-7
CAS Name: N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-[amino(guanidino)methylene]amino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-[azanyl-[bis(azanyl)methylideneamino]methylidene]amino]pyridine-4-carboxamide
MOLECULAR FORMULA: C8H11N7O
MOLECULAR WEIGHT: 221.21924
SMILES: C1=CN=CC=C1C(=O)N/N=C(\N)/N=C(N)N
Structure:
CAS RN: 63698-06-6
CAS Name: 1-phenyl-3-[(Z)-1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1-phenyl-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
SYSTEMATIC NAME: 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
MOLECULAR FORMULA: C14H14N4S
MOLECULAR WEIGHT: 270.35276
SMILES: C/C(=N/NC(=S)NC1=CC=CC=C1)/C2=CC=CC=N2
Structure:
CAS RN: 149-17-7
CAS Name: N'-[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-pyridinecarbohydrazide
OPENEYE Name: N'-[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
IUPAC Name: N'-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
SYSTEMATIC NAME: N'-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: COC1=C/C(=C/NNC(=O)C2=CC=NC=C2)/C=CC1=O
Structure:
CAS RN: 201340-99-0
CAS Name: carbonic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[2-methylpropoxy(oxo)methoxy]methoxy]phosphoryl]oxymethyl 2-methylpropyl ester
OPENEYE Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isobutoxycarbonyloxymethoxy)phosphoryl]oxymethyl isobutyl carbonate
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-methylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 2-methylpropyl carbonate
SYSTEMATIC NAME: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-methylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 2-methylpropyl carbonate
MOLECULAR FORMULA: C21H34N5O10P
MOLECULAR WEIGHT: 547.495921
SMILES: C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)OCC(C)C)OCOC(=O)OCC(C)C
Structure:
CAS RN: 13396-93-5
CAS Name: 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
OPENEYE Name: 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
IUPAC Name: 6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SYSTEMATIC NAME: 3,3-dimethyl-6-oxidanyl-12H-pyrano[2,3-c]acridin-7-one
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3)C
Structure:
CAS RN: 84957-29-9
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H22N6O5S2
MOLECULAR WEIGHT: 514.57728
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-]
Structure:
CAS RN: 88040-23-7
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C19H24N6O5S2
MOLECULAR WEIGHT: 480.56106
SMILES: C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]
Structure:
CAS RN: 73384-59-5
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H18N8O7S3
MOLECULAR WEIGHT: 554.57992
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
Structure:
CAS RN: 104376-79-6
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H18N8O7S3
MOLECULAR WEIGHT: 554.57992
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
Structure:
CAS RN: 55268-75-2
CAS Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H16N4O8S
MOLECULAR WEIGHT: 424.38524
SMILES: CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Structure:
CAS RN: 153012-39-6
CAS Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H16N4O8S
MOLECULAR WEIGHT: 424.38524
SMILES: CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Structure:
CAS RN: 63527-52-6
CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H17N5O7S2
MOLECULAR WEIGHT: 455.46548
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O
Structure:
CAS RN: 201341-09-5
CAS Name: N-tert-butylcarbamic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(tert-butylamino)-oxomethoxy]methoxy]phosphoryl]oxymethyl ester
OPENEYE Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(tert-butylcarbamoyloxymethoxy)phosphoryl]oxymethyl N-tert-butylcarbamate
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(tert-butylcarbamoyloxymethoxy)phosphoryl]oxymethyl N-tert-butylcarbamate
SYSTEMATIC NAME: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(tert-butylcarbamoyloxymethoxy)phosphoryl]oxymethyl N-tert-butylcarbamate
MOLECULAR FORMULA: C21H36N7O8P
MOLECULAR WEIGHT: 545.526401
SMILES: C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)NC(C)(C)C)OCOC(=O)NC(C)(C)C
Structure:
CAS RN: 30868-30-5
CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrazol-4-one
OPENEYE Name: (5E)-5-[amino(hydroxy)methylene]-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrazol-4-one
IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazol-4-one
SYSTEMATIC NAME: (5E)-5-[azanyl(oxidanyl)methylidene]-3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrazol-4-one
MOLECULAR FORMULA: C9H13N3O6
MOLECULAR WEIGHT: 259.21602
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=NN/C(=C(\N)/O)/C2=O)O)O)O
Structure:
CAS RN: 437980-22-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1CNC2=C(C(=O)C(=O)C3=C2C1=CN3)Cl
Structure:
CAS RN: 101689-95-6
CAS Name: 4-[5-[4-[(E)-amino(hydroxyimino)methyl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
OPENEYE Name: N'-hydroxy-4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzamidine
IUPAC Name: N'-hydroxy-4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide
SYSTEMATIC NAME: N'-oxidanyl-4-[5-[4-[(E)-N'-oxidanylcarbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide
MOLECULAR FORMULA: C19H24N4O4
MOLECULAR WEIGHT: 372.41826
SMILES: C1=CC(=CC=C1/C(=N\O)/N)OCCCCCOC2=CC=C(C=C2)/C(=N\O)/N
Structure:
CAS RN: 2429-74-5
CAS Name: tetrasodium 5-amino-3-[[4-[4-[2-(8-amino-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: tetrasodium 5-amino-3-[[4-[4-[2-(8-amino-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: tetrasodium 5-amino-3-[[4-[4-[2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: tetrasodium 5-azanyl-3-[[4-[4-[2-(8-azanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C34H24N6Na4O16S4
MOLECULAR WEIGHT: 992.80404
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 18904-53-5
CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-methyl-1-[[(1S)-1-methyl-2-oxo-ethyl]carbamoyl]propyl]carbamate
IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]butan-2-yl]carbamate
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: C[C@@H](C=O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 24787-89-1
CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-methyl-1-[[(1S)-1-methyl-2-oxo-ethyl]carbamoyl]propyl]carbamate
IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]butan-2-yl]carbamate
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: C[C@@H](C=O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 14609-54-2
CAS Name: 4-[10,15,20-tris(4-carboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid
OPENEYE Name: 4-[10,15,20-tris(4-carboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid
IUPAC Name: 4-[10,15,20-tris(4-carboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid
SYSTEMATIC NAME: 4-[10,15,20-tris(4-carboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid
MOLECULAR FORMULA: C48H30N4O8
MOLECULAR WEIGHT: 790.7738
SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O
Structure:
CAS RN: 19660-77-6
CAS Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
OPENEYE Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
IUPAC Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: (17S,18S)-12-ethenyl-7-ethyl-20-(2-hydroxy-2-oxoethyl)-18-(3-hydroxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C34H36N4O6
MOLECULAR WEIGHT: 596.67284
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C
Structure:
CAS RN: 30113-83-8
CAS Name: 7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid
OPENEYE Name: 7-hydroxy-4-oxo-chromene-2-carboxylic acid
IUPAC Name: 7-hydroxy-4-oxochromene-2-carboxylic acid
SYSTEMATIC NAME: 7-oxidanyl-4-oxidanylidene-chromene-2-carboxylic acid
MOLECULAR FORMULA: C10H6O5
MOLECULAR WEIGHT: 206.15164
SMILES: C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)O
Structure:
CAS RN: 97207-47-1
CAS Name: (3E)-1-methyl-3-(2-oxo-1H-indol-3-ylidene)-2-indolone
OPENEYE Name: (3E)-1-methyl-3-(2-oxoindolin-3-ylidene)indolin-2-one
IUPAC Name: (3E)-1-methyl-3-(2-oxo-1H-indol-3-ylidene)indol-2-one
SYSTEMATIC NAME: (3E)-1-methyl-3-(2-oxidanylidene-1H-indol-3-ylidene)indol-2-one
MOLECULAR FORMULA: C17H12N2O2
MOLECULAR WEIGHT: 276.28938
SMILES: CN1C2=CC=CC=C2/C(=C\3/C4=CC=CC=C4NC3=O)/C1=O
Structure:
CAS RN: 145680-04-2
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid [(3R)-3-oxanyl] ester
OPENEYE Name: [(3R)-tetrahydropyran-3-yl] N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate
IUPAC Name: [(3R)-oxan-3-yl] N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: [(3R)-oxan-3-yl] N-[(2S,3S,5R)-3-oxidanyl-6-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C34H40N2O6
MOLECULAR WEIGHT: 572.6912
SMILES: C1C[C@H](COC1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
Structure:
CAS RN: 145631-05-6
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid [(3S)-3-oxanyl] ester
OPENEYE Name: [(3S)-tetrahydropyran-3-yl] N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate
IUPAC Name: [(3S)-oxan-3-yl] N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: [(3S)-oxan-3-yl] N-[(2S,3S,5R)-3-oxidanyl-6-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C34H40N2O6
MOLECULAR WEIGHT: 572.6912
SMILES: C1C[C@@H](COC1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
Structure:
CAS RN: 145631-04-5
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid cyclopentyl ester
OPENEYE Name: cyclopentyl N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate
IUPAC Name: cyclopentyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: cyclopentyl N-[(2S,3S,5R)-3-oxidanyl-6-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C34H40N2O5
MOLECULAR WEIGHT: 556.6918
SMILES: C1CCC(C1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
Structure:
CAS RN: 145680-03-1
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid [(3R)-3-oxolanyl] ester
OPENEYE Name: [(3R)-tetrahydrofuran-3-yl] N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate
IUPAC Name: [(3R)-oxolan-3-yl] N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: [(3R)-oxolan-3-yl] N-[(2S,3S,5R)-3-oxidanyl-6-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C33H38N2O6
MOLECULAR WEIGHT: 558.66462
SMILES: C1COC[C@@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
Structure:
CAS RN: 145631-03-4
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester
OPENEYE Name: [(3S)-tetrahydrofuran-3-yl] N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: [(3S)-oxolan-3-yl] N-[(2S,3S,5R)-3-oxidanyl-6-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C33H38N2O6
MOLECULAR WEIGHT: 558.66462
SMILES: C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
Structure:
CAS RN: 2829-42-7
CAS Name: 3-[[4-[[[4-[2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: 3-[[4-[[4-[2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: 3-[[4-[[4-[2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: 3-[[4-[[4-[2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C27H20N6O7
MOLECULAR WEIGHT: 540.4837
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O)NN=C4C=CC(=O)C(=C4)C(=O)O
Structure:
CAS RN: 133806-62-9
CAS Name: (2R)-2-[[oxo-[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid
OPENEYE Name: (2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
IUPAC Name: (2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(5S,6S)-11-methoxy-3-methyl-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C34H33NO15
MOLECULAR WEIGHT: 695.62352
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O)O
Structure:
CAS RN: 136105-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H28N2O6
MOLECULAR WEIGHT: 512.55312
SMILES: CC1=C(C2=C3C(=C1)C(=C(C(=O)C3=C(O2)N)O)C(C)C)C4=C(C=C5C6=C4OC(=C6C(=O)C(=C5C(C)C)O)N)C
Structure:
CAS RN: 134458-74-5
CAS Name: (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopropyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-6-phenyl-2-(phenylmethyl)hexanamide
OPENEYE Name: (2R,3R,4R,5S)-2-benzyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]-6-phenyl-hexanamide
IUPAC Name: (2R,3R,4R,5S)-2-benzyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-6-phenylhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5S)-5-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-naphthalen-1-yloxyethanoylamino)propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-3,4-bis(oxidanyl)-6-phenyl-2-(phenylmethyl)hexanamide
MOLECULAR FORMULA: C49H55N7O7
MOLECULAR WEIGHT: 854.0037
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@H](CC2=CC=CC=C2)[C@H]([C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)COC5=CC=CC6=CC=CC=C65)O)O
Structure:
CAS RN: 112190-15-5
CAS Name: (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxopropyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
OPENEYE Name: (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide
IUPAC Name: (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
SYSTEMATIC NAME: (2R,3R,4R,5S)-5-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-naphthalen-1-yloxyethanoylamino)propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-3,4-bis(oxidanyl)-2-propan-2-yl-octanamide
MOLECULAR FORMULA: C42H57N7O7
MOLECULAR WEIGHT: 771.94468
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)COC3=CC=CC4=CC=CC=C43)O)O)C(C)C
Structure:
CAS RN: 136035-13-7
CAS Name: 1-[(2S,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2S,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2S,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2S,4R,5R)-4-azanyl-5-[(1S)-1-oxidanylethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H17N3O4
MOLECULAR WEIGHT: 255.27038
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)[C@H](C)O)N
Structure:
CAS RN: 136035-11-5
CAS Name: acetic acid [(1S)-1-[(2R,3S,5R)-3-(1,3-dioxo-2-isoindolyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]ethyl] ester
OPENEYE Name: [(1S)-1-[(2R,3S,5R)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate
IUPAC Name: [(1S)-1-[(2R,3S,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
SYSTEMATIC NAME: [(1S)-1-[(2R,3S,5R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl] ethanoate
MOLECULAR FORMULA: C21H21N3O7
MOLECULAR WEIGHT: 427.40734
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@H](O2)[C@H](C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 136035-10-4
CAS Name: acetic acid [(1S)-1-[(2R,3R,5S)-3-(1,3-dioxo-2-isoindolyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]ethyl] ester
OPENEYE Name: [(1S)-1-[(2R,3R,5S)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate
IUPAC Name: [(1S)-1-[(2R,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
SYSTEMATIC NAME: [(1S)-1-[(2R,3R,5S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl] ethanoate
MOLECULAR FORMULA: C21H21N3O7
MOLECULAR WEIGHT: 427.40734
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)[C@H](C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 136035-09-1
CAS Name: acetic acid [(1S)-1-[(2R,3R,5R)-3-(1,3-dioxo-2-isoindolyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]ethyl] ester
OPENEYE Name: [(1S)-1-[(2R,3R,5R)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate
IUPAC Name: [(1S)-1-[(2R,3R,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
SYSTEMATIC NAME: [(1S)-1-[(2R,3R,5R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl] ethanoate
MOLECULAR FORMULA: C21H21N3O7
MOLECULAR WEIGHT: 427.40734
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H](O2)[C@H](C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 134458-79-0
CAS Name: (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexyl-1-oxoethyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
IUPAC Name: (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5S)-6-cyclohexyl-5-(2-cyclohexylethanoylamino)-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-3,4-bis(oxidanyl)-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C35H58N4O5
MOLECULAR WEIGHT: 614.85882
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)CC3CCCCC3)O)O)C(C)C
Structure:
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