CAS RN: 75241-23-5
CAS Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide hydrochloride
OPENEYE Name: N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide hydrochloride
IUPAC Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[2-(methylamino)ethanoyl]pyrrolidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C20H31ClN8O5
MOLECULAR WEIGHT: 498.96374
SMILES: CNCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
Structure:
CAS RN: 60022-62-0
CAS Name: 2-amino-3-hydroxypropanoic acid (phenylmethyl) ester hydrochloride
OPENEYE Name: benzyl 2-amino-3-hydroxy-propanoate hydrochloride
IUPAC Name: benzyl 2-amino-3-hydroxypropanoate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) 2-azanyl-3-oxidanyl-propanoate hydrochloride
MOLECULAR FORMULA: C10H14ClNO3
MOLECULAR WEIGHT: 231.67606
SMILES: C1=CC=C(C=C1)COC(=O)C(CO)N.Cl
Structure:
CAS RN: 83846-83-7
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1H-quinazoline-2,4-dione
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C26H28FN3O9
MOLECULAR WEIGHT: 545.513623
SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 83283-35-6
CAS Name: N-(benzenesulfonyl)benzenesulfonamide; (2S)-2-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: N-(benzenesulfonyl)benzenesulfonamide; tert-butyl (2S)-pyrrolidine-2-carboxylate
IUPAC Name: N-(benzenesulfonyl)benzenesulfonamide; tert-butyl (2S)-pyrrolidine-2-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-pyrrolidine-2-carboxylate; N-(phenylsulfonyl)benzenesulfonamide
MOLECULAR FORMULA: C21H28N2O6S2
MOLECULAR WEIGHT: 468.58682
SMILES: CC(C)(C)OC(=O)[C@@H]1CCCN1.C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 6640-22-8
CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; sodium
OPENEYE Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; sodium
IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; sodium
SYSTEMATIC NAME: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; sodium
MOLECULAR FORMULA: C23H16NaO6
MOLECULAR WEIGHT: 411.35931
SMILES: C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.[Na]
Structure:
CAS RN: 100929-99-5
CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-(diaminomethylideneamino)-N-(2-naphthalenyl)pentanamide hydrochloride
OPENEYE Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-5-guanidino-N-(2-naphthyl)pentanamide hydrochloride
IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide hydrochloride
SYSTEMATIC NAME: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide hydrochloride
MOLECULAR FORMULA: C25H31ClN6O2
MOLECULAR WEIGHT: 483.00564
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N.Cl
Structure:
CAS RN: 74525-23-8
CAS Name: 2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]ethanesulfonic acid; sodium
OPENEYE Name: 2-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]ethanesulfonic acid; sodium
IUPAC Name: 2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonic acid; sodium
SYSTEMATIC NAME: 2-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonic acid; sodium
MOLECULAR FORMULA: C8H17NNaO6S
MOLECULAR WEIGHT: 278.27845
SMILES: CC(C)(CO)C(C(=O)NCCS(=O)(=O)O)O.[Na]
Structure:
CAS RN: 27378-49-0
CAS Name: 2,5-diaminopentanoic acid hydrobromide
OPENEYE Name: 2,5-diaminopentanoic acid hydrobromide
IUPAC Name: 2,5-diaminopentanoic acid hydrobromide
SYSTEMATIC NAME: 2,5-bis(azanyl)pentanoic acid hydrobromide
MOLECULAR FORMULA: C5H13BrN2O2
MOLECULAR WEIGHT: 213.07292
SMILES: C(CC(C(=O)O)N)CN.Br
Structure:
CAS RN: 33960-23-5
CAS Name: 2,5-diaminopentanoic acid hydrobromide
OPENEYE Name: 2,5-diaminopentanoic acid hydrobromide
IUPAC Name: 2,5-diaminopentanoic acid hydrobromide
SYSTEMATIC NAME: 2,5-bis(azanyl)pentanoic acid hydrobromide
MOLECULAR FORMULA: C5H13BrN2O2
MOLECULAR WEIGHT: 213.07292
SMILES: C(CC(C(=O)O)N)CN.Br
Structure:
CAS RN: 1323-44-0
CAS Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
MOLECULAR FORMULA: C22H24CaN2O9
MOLECULAR WEIGHT: 500.51196
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.[Ca]
Structure:
CAS RN: 13303-91-8
CAS Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
MOLECULAR FORMULA: C22H24CaN2O9
MOLECULAR WEIGHT: 500.51196
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.[Ca]
Structure:
CAS RN: 57122-98-2
CAS Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; calcium
MOLECULAR FORMULA: C22H24CaN2O9
MOLECULAR WEIGHT: 500.51196
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.[Ca]
Structure:
CAS RN: 553-91-3
CAS Name: lithium; oxalic acid
OPENEYE Name: lithium; oxalic acid
IUPAC Name: lithium; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; lithium
MOLECULAR FORMULA: C2H2LiO4
MOLECULAR WEIGHT: 96.97588
SMILES: [Li].C(=O)(C(=O)O)O
Structure:
CAS RN: 6217-68-1
CAS Name: potassium; sulfuric acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) hydrogen sulfate; potassium
IUPAC Name: (4-nitrophenyl) hydrogen sulfate; potassium
SYSTEMATIC NAME: (4-nitrophenyl) hydrogen sulfate; potassium
MOLECULAR FORMULA: C6H5KNO6S
MOLECULAR WEIGHT: 258.2703
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)O.[K]
Structure:
CAS RN: 111469-81-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H27ClN2O3
MOLECULAR WEIGHT: 450.95718
SMILES: C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6.Cl
Structure:
CAS RN: 96687-21-7
CAS Name: 2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-amino-3-(3-hydroxyphenyl)-2-methyl-propanoate hydrochloride
IUPAC Name: methyl 2-amino-3-(3-hydroxyphenyl)-2-methylpropanoate hydrochloride
SYSTEMATIC NAME: methyl 2-azanyl-3-(3-hydroxyphenyl)-2-methyl-propanoate hydrochloride
MOLECULAR FORMULA: C11H16ClNO3
MOLECULAR WEIGHT: 245.70264
SMILES: CC(CC1=CC(=CC=C1)O)(C(=O)OC)N.Cl
Structure:
CAS RN: 104835-70-3
CAS Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]methylphosphonic acid; sodium
OPENEYE Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid; sodium
IUPAC Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid; sodium
SYSTEMATIC NAME: [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid; sodium
MOLECULAR FORMULA: C11H17N5NaO9P2
MOLECULAR WEIGHT: 448.218072
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O.[Na]
Structure:
CAS RN: 654055-01-3
CAS Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one hydrate
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one hydrate
IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one hydrate
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one hydrate
MOLECULAR FORMULA: C15H12O8
MOLECULAR WEIGHT: 320.25098
SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O
Structure:
CAS RN: 87777-29-5
CAS Name: 1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[1-(2-carbamoyl-1-pyrrolidinyl)-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide hydrochloride
OPENEYE Name: 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-benzyl-2-(2-carbamoylpyrrolidin-1-yl)-2-oxo-ethyl]pyrrolidine-2-carboxamide hydrochloride
IUPAC Name: 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-[1-(2-aminocarbonylpyrrolidin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C28H36ClN5O5
MOLECULAR WEIGHT: 558.06894
SMILES: C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N.Cl
Structure:
CAS RN: 115388-97-1
CAS Name: 4-amino-6-methoxy-2-methyl-3-oxanol hydrochloride
OPENEYE Name: 4-amino-6-methoxy-2-methyl-tetrahydropyran-3-ol hydrochloride
IUPAC Name: 4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride
SYSTEMATIC NAME: 4-azanyl-6-methoxy-2-methyl-oxan-3-ol hydrochloride
MOLECULAR FORMULA: C7H16ClNO3
MOLECULAR WEIGHT: 197.65984
SMILES: CC1C(C(CC(O1)OC)N)O.Cl
Structure:
CAS RN: 54623-24-4
CAS Name: 4-amino-6-methoxy-2-methyl-3-oxanol hydrochloride
OPENEYE Name: 4-amino-6-methoxy-2-methyl-tetrahydropyran-3-ol hydrochloride
IUPAC Name: 4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride
SYSTEMATIC NAME: 4-azanyl-6-methoxy-2-methyl-oxan-3-ol hydrochloride
MOLECULAR FORMULA: C7H16ClNO3
MOLECULAR WEIGHT: 197.65984
SMILES: CC1C(C(CC(O1)OC)N)O.Cl
Structure:
CAS RN: 135306-85-3
CAS Name: 3-amino-4-[[1-[[1-[[1-[[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropa
OPENEYE Name: 3-amino-4-[[2-[[2-[[1-[[2-[[2-[(5-amino-1-carbamoyl-pentyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo
IUPAC Name: 3-amino-4-[[1-[[1-[[1-[[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropa
SYSTEMATIC NAME: 3-azanyl-4-[[1-[[1-[[1-[[1-[[1-[[1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxi
MOLECULAR FORMULA: C57H68N12O10
MOLECULAR WEIGHT: 1081.22422
SMILES: CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CC(=O)O)N
Structure:
CAS RN: 70253-67-7
CAS Name: N-[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)-6-purinyl]butanamide; sodium
OPENEYE Name: N-[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide; sodium
IUPAC Name: N-[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide; sodium
SYSTEMATIC NAME: N-[9-[2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide; sodium
MOLECULAR FORMULA: C14H18N5NaO7P
MOLECULAR WEIGHT: 422.285551
SMILES: CCCC(=O)NC1=NC=NC2=C1N=CN2C3C(C4C(O3)COP(=O)(O4)O)O.[Na]
Structure:
CAS RN: 7023-27-0
CAS Name: cyclohexanamine; methyl dihydrogen phosphate
OPENEYE Name: cyclohexanamine; methyl dihydrogen phosphate
IUPAC Name: cyclohexanamine; methyl dihydrogen phosphate
SYSTEMATIC NAME: cyclohexanamine; methyl dihydrogen phosphate
MOLECULAR FORMULA: C13H31N2O4P
MOLECULAR WEIGHT: 310.370001
SMILES: COP(=O)(O)O.C1CCC(CC1)N.C1CCC(CC1)N
Structure:
CAS RN: 87178-63-0
CAS Name: 1-(2-amino-4-methyl-1-oxopentyl)-2-pyrrolidinecarboxylic acid hydrochloride
OPENEYE Name: 1-(2-amino-4-methyl-pentanoyl)pyrrolidine-2-carboxylic acid hydrochloride
IUPAC Name: 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: 1-(2-azanyl-4-methyl-pentanoyl)pyrrolidine-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C11H21ClN2O3
MOLECULAR WEIGHT: 264.74904
SMILES: CC(C)CC(C(=O)N1CCCC1C(=O)O)N.Cl
Structure:
CAS RN: 73237-75-9
CAS Name: 2-amino-N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-methylpentanamide hydrochloride
OPENEYE Name: 2-amino-N-(1-carbamoyl-3-methyl-butyl)-4-methyl-pentanamide hydrochloride
IUPAC Name: 2-amino-N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-methylpentanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-4-methyl-pentanamide hydrochloride
MOLECULAR FORMULA: C12H26ClN3O2
MOLECULAR WEIGHT: 279.80674
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)N)N.Cl
Structure:
CAS RN: 16689-14-8
CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-methylpentanoic acid methyl ester hydrobromide
OPENEYE Name: methyl 2-[(2-amino-4-methyl-pentanoyl)amino]-4-methyl-pentanoate hydrobromide
IUPAC Name: methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate hydrobromide
SYSTEMATIC NAME: methyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methyl-pentanoate hydrobromide
MOLECULAR FORMULA: C13H27BrN2O3
MOLECULAR WEIGHT: 339.26908
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)OC)N.Br
Structure:
CAS RN: 6108-05-0
CAS Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride
OPENEYE Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride
IUPAC Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide hydrate hydrochloride
MOLECULAR FORMULA: C14H25ClN2O2
MOLECULAR WEIGHT: 288.8135
SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.O.Cl
Structure:
CAS RN: 118357-26-9
CAS Name: 2,6-diamino-N-[1-[(4-methoxy-2-naphthalenyl)amino]-1-oxopropan-2-yl]hexanamide hydrochloride
OPENEYE Name: 2,6-diamino-N-[2-[(4-methoxy-2-naphthyl)amino]-1-methyl-2-oxo-ethyl]hexanamide hydrochloride
IUPAC Name: 2,6-diamino-N-[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide hydrochloride
SYSTEMATIC NAME: 2,6-bis(azanyl)-N-[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxidanylidene-propan-2-yl]hexanamide hydrochloride
MOLECULAR FORMULA: C20H29ClN4O3
MOLECULAR WEIGHT: 408.92226
SMILES: CC(C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)C(CCCCN)N.Cl
Structure:
CAS RN: 24125-16-4
CAS Name: 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide hydrochloride
OPENEYE Name: 2-acetamido-N-[1-[(1-formyl-4-guanidino-butyl)carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide hydrochloride
IUPAC Name: 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide hydrochloride
SYSTEMATIC NAME: 2-acetamido-N-[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide hydrochloride
MOLECULAR FORMULA: C20H39ClN6O4
MOLECULAR WEIGHT: 463.01446
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.Cl
Structure:
CAS RN: 893-36-7
CAS Name: (2S)-2-amino-4-methyl-N-(2-naphthalenyl)pentanamide hydrochloride
OPENEYE Name: (2S)-2-amino-4-methyl-N-(2-naphthyl)pentanamide hydrochloride
IUPAC Name: (2S)-2-amino-4-methyl-N-naphthalen-2-ylpentanamide hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-4-methyl-N-naphthalen-2-yl-pentanamide hydrochloride
MOLECULAR FORMULA: C16H21ClN2O
MOLECULAR WEIGHT: 292.80374
SMILES: CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N.Cl
Structure:
CAS RN: 304-47-2
CAS Name: 3-amino-1-(2-aminophenyl)-1-propanone hydrobromide
OPENEYE Name: 3-amino-1-(2-aminophenyl)propan-1-one hydrobromide
IUPAC Name: 3-amino-1-(2-aminophenyl)propan-1-one hydrobromide
SYSTEMATIC NAME: 1-(2-aminophenyl)-3-azanyl-propan-1-one hydrobromide
MOLECULAR FORMULA: C9H13BrN2O
MOLECULAR WEIGHT: 245.11632
SMILES: C1=CC=C(C(=C1)C(=O)CCN)N.Br
Structure:
CAS RN: 114-63-6
CAS Name: sodium 4-hydroxybenzoate
OPENEYE Name: sodium 4-hydroxybenzoate
IUPAC Name: sodium 4-hydroxybenzoate
SYSTEMATIC NAME: sodium 4-oxidanylbenzoate
MOLECULAR FORMULA: C7H5NaO3
MOLECULAR WEIGHT: 160.10257
SMILES: C1=CC(=CC=C1C(=O)[O-])O.[Na+]
Structure:
CAS RN: 178120-64-4
CAS Name: sodium 4-hydroxybenzoate
OPENEYE Name: sodium 4-hydroxybenzoate
IUPAC Name: sodium 4-hydroxybenzoate
SYSTEMATIC NAME: sodium 4-oxidanylbenzoate
MOLECULAR FORMULA: C7H5NaO3
MOLECULAR WEIGHT: 160.10257
SMILES: C1=CC(=CC=C1C(=O)[O-])O.[Na+]
Structure:
CAS RN: 62-99-7
CAS Name: (6R,10R,13S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6R,10R,13S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6R,10R,13S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6R,10R,13S,17S)-10,13-dimethyl-6,17-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O
Structure:
CAS RN: 103745-39-7
CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline dihydrochloride
OPENEYE Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline dihydrochloride
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline dihydrochloride
SYSTEMATIC NAME: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline dihydrochloride
MOLECULAR FORMULA: C14H19Cl2N3O2S
MOLECULAR WEIGHT: 364.29056
SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
Structure:
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