CAS RN: 158275-30-0
CAS Name: (2S)-N-[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopro
OPENEYE Name: (2S)-1-[(2S)-2-aminopropanoyl]-N-[(1S,2R)-1-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[2-[[(1S)-1-[(1-carbamoyl-4-guanidino-butyl)carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-
IUPAC Name: (2S)-N-[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopro
SYSTEMATIC NAME: (2S)-N-[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl
MOLECULAR FORMULA: C46H69N13O11
MOLECULAR WEIGHT: 980.12056
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N)O
Structure:
CAS RN: 158020-56-5
CAS Name: 3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)benzofuro[3,2-c]chromen-6-one
IUPAC Name: 3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 2,10-bis(3-methylbut-2-enyl)-3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C25H24O5
MOLECULAR WEIGHT: 404.45506
SMILES: CC(=CCC1=C(C=C2C(=C1)C3=C(C4=C(O3)C(=C(C=C4)O)CC=C(C)C)C(=O)O2)O)C
Structure:
CAS RN: 157135-53-0
CAS Name: benzoic acid [[(2S)-1-[[[(2S)-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino] ester
OPENEYE Name: [[(1S)-1-benzyl-2-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-2-oxo-ethyl]amino] benzoate
IUPAC Name: [[(2S)-1-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]amino] benzoate
SYSTEMATIC NAME: [[(2S)-1-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino] benzoate
MOLECULAR FORMULA: C29H36N4O7
MOLECULAR WEIGHT: 552.61874
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NOC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C
Structure:
CAS RN: 157117-38-9
CAS Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
OPENEYE Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
IUPAC Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
MOLECULAR FORMULA: C18H21N4O7P
MOLECULAR WEIGHT: 436.355701
SMILES: CC1=NC=C(C(=C1O)CNC(CC2=CNC3=C2C=CC=N3)C(=O)O)COP(=O)(O)O
Structure:
CAS RN: 156499-23-9
CAS Name: 3-(1-methyl-3-pyrrolidinyl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
OPENEYE Name: 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridyl)-1H-indol-5-amine
IUPAC Name: 3-(1-methylpyrrolidin-3-yl)-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
SYSTEMATIC NAME: 3-(1-methylpyrrolidin-3-yl)-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
MOLECULAR FORMULA: C18H19N5O2
MOLECULAR WEIGHT: 337.37576
SMILES: CN1CCC(C1)C2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]
Structure:
CAS RN: 156125-05-2
CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]-[1-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
OPENEYE Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-2-[[2-[[2-(isopropylamino)acetyl]-[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]propanamide
IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]-[2-(propan-2-ylamino)acetyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]-[2-(propan-2-ylamino)ethanoyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]propanamide
MOLECULAR FORMULA: C29H40N6O6
MOLECULAR WEIGHT: 568.6645
SMILES: C[C@H](C(=O)NCC(=O)N(C(=O)CNC(C)C)C(=O)[C@H](CC1=CC=CC=C1)NC)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 104160-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H29NO7
MOLECULAR WEIGHT: 503.54306
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=C3C4=C(C[C@@H]5[C@]6([C@]4(CCN5CC7CC7)[C@@H](O3)C(=O)CC6)O)C=C2
Structure:
CAS RN: 104160-22-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H28N2O5
MOLECULAR WEIGHT: 460.52162
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)OC(=O)C7=CC=CC=C7N)O5)O
Structure:
CAS RN: 104021-42-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: C[C@@H]1[C@@]2(CN3CC[C@@H]2[C@@](O1)(C4=C(C3)C5=CC=CC=C5N4)C)O
Structure:
CAS RN: 103955-74-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C75H116N12O20
MOLECULAR WEIGHT: 1505.79194
SMILES: CCC(C)CCCCCCCCCCC(CC(=O)NC(CCC(=O)O)C(=O)NC(CCCN)C(=O)NC1CC2=CC=C(C=C2)OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)O)CCC(=O)O)C(C)C)CCC(=O)N)CC4=CC=C(C=C4)O)C(C)CC)O
Structure:
CAS RN: 103839-19-6
CAS Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-8-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C23H24O13
MOLECULAR WEIGHT: 508.42886
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 103839-18-5
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-methoxy-3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O17
MOLECULAR WEIGHT: 640.54348
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3=O)C(=CC(=C4OC)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Structure:
CAS RN: 90850-05-8
CAS Name: 2-[2-[[(2S,3S)-3-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinyl]oxy]-1-oxoethoxy]acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-[2-[(2S,3S)-3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-methyl-4-oxo-azetidin-1-yl]oxyacetyl]oxyacetate
IUPAC Name: tert-butyl 2-[2-[(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetyl]oxyacetate
SYSTEMATIC NAME: tert-butyl 2-[2-[(2S,3S)-3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidin-1-yl]oxyethanoyloxy]ethanoate
MOLECULAR FORMULA: C18H25N5O8S
MOLECULAR WEIGHT: 471.4848
SMILES: C[C@H]1[C@@H](C(=O)N1OCC(=O)OCC(=O)OC(C)(C)C)NC(=O)/C(=N\OC)/C2=CSC(=N2)N
Structure:
CAS RN: 102828-03-5
CAS Name: 2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
OPENEYE Name: 2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
IUPAC Name: 2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SYSTEMATIC NAME: 2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCO
Structure:
CAS RN: 102673-53-0
CAS Name: (1Z)-6-bromo-1-(2-pyrrolidinylidene)-2H-pyrido[3,4-b]indol-8-one
OPENEYE Name: (1Z)-6-bromo-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-8-one
IUPAC Name: (1Z)-6-bromo-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-8-one
SYSTEMATIC NAME: (1Z)-6-bromanyl-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-8-one
MOLECULAR FORMULA: C15H12BrN3O
MOLECULAR WEIGHT: 330.17928
SMILES: C1C/C(=C/2\C3=C(C=CN2)C4=CC(=CC(=O)C4=N3)Br)/NC1
Structure:
CAS RN: 102349-34-8
CAS Name: 5,8-dihydroxy-3,3-dimethyl-12-pyrano[3,2-a]xanthenone
OPENEYE Name: 5,8-dihydroxy-3,3-dimethyl-pyrano[3,2-a]xanthen-12-one
IUPAC Name: 5,8-dihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one
SYSTEMATIC NAME: 3,3-dimethyl-5,8-bis(oxidanyl)pyrano[3,2-a]xanthen-12-one
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: CC1(C=CC2=C3C(=CC(=C2O1)O)OC4=C(C3=O)C=CC=C4O)C
Structure:
CAS RN: 33213-29-5
CAS Name: N-(3-butan-2-yl-2-hydroxy-5-nitrophenyl)acetamide
OPENEYE Name: N-(2-hydroxy-5-nitro-3-sec-butyl-phenyl)acetamide
IUPAC Name: N-(3-butan-2-yl-2-hydroxy-5-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(3-butan-2-yl-5-nitro-2-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C12H16N2O4
MOLECULAR WEIGHT: 252.26644
SMILES: CCC(C)C1=CC(=CC(=C1O)NC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 92538-95-9
CAS Name: 4-methyl-3-nitrobenzene-1,2-diol
OPENEYE Name: 4-methyl-3-nitro-benzene-1,2-diol
IUPAC Name: 4-methyl-3-nitrobenzene-1,2-diol
SYSTEMATIC NAME: 4-methyl-3-nitro-benzene-1,2-diol
MOLECULAR FORMULA: C7H7NO4
MOLECULAR WEIGHT: 169.13478
SMILES: CC1=C(C(=C(C=C1)O)O)[N+](=O)[O-]
Structure:
CAS RN: 90065-65-9
CAS Name: (Z)-4-hydroxy-2-oxo-3-butenal
OPENEYE Name: (Z)-4-hydroxy-2-oxo-but-3-enal
IUPAC Name: (Z)-4-hydroxy-2-oxobut-3-enal
SYSTEMATIC NAME: (Z)-4-oxidanyl-2-oxidanylidene-but-3-enal
MOLECULAR FORMULA: C4H4O3
MOLECULAR WEIGHT: 100.07276
SMILES: C(=C\O)\C(=O)C=O
Structure:
CAS RN: 89999-08-6
CAS Name: (3Z)-6-chloro-3-[(4-ethoxyanilino)-mercaptomethylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: (3Z)-6-chloro-3-[(4-ethoxyanilino)-sulfanyl-methylene]chromane-2,4-dione
IUPAC Name: (3Z)-6-chloro-3-[(4-ethoxyanilino)-sulfanylmethylidene]chromene-2,4-dione
SYSTEMATIC NAME: (3Z)-6-chloranyl-3-[[(4-ethoxyphenyl)amino]-sulfanyl-methylidene]chromene-2,4-dione
MOLECULAR FORMULA: C18H14ClNO4S
MOLECULAR WEIGHT: 375.82606
SMILES: CCOC1=CC=C(C=C1)N/C(=C/2\C(=O)C3=C(C=CC(=C3)Cl)OC2=O)/S
Structure:
CAS RN: 89999-07-5
CAS Name: (3Z)-3-[(4-ethoxyanilino)-mercaptomethylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: (3Z)-3-[(4-ethoxyanilino)-sulfanyl-methylene]chromane-2,4-dione
IUPAC Name: (3Z)-3-[(4-ethoxyanilino)-sulfanylmethylidene]chromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[[(4-ethoxyphenyl)amino]-sulfanyl-methylidene]chromene-2,4-dione
MOLECULAR FORMULA: C18H15NO4S
MOLECULAR WEIGHT: 341.381
SMILES: CCOC1=CC=C(C=C1)N/C(=C/2\C(=O)C3=CC=CC=C3OC2=O)/S
Structure:
CAS RN: 89999-05-3
CAS Name: (3Z)-3-[mercapto-(prop-2-enylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: (3Z)-3-[(allylamino)-sulfanyl-methylene]chromane-2,4-dione
IUPAC Name: (3Z)-3-[(prop-2-enylamino)-sulfanylmethylidene]chromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[(prop-2-enylamino)-sulfanyl-methylidene]chromene-2,4-dione
MOLECULAR FORMULA: C13H11NO3S
MOLECULAR WEIGHT: 261.29634
SMILES: C=CCN/C(=C/1\C(=O)C2=CC=CC=C2OC1=O)/S
Structure:
CAS RN: 89999-04-2
CAS Name: (3Z)-3-[mercapto-(2,4,6-tribromoanilino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: (3Z)-3-[sulfanyl-(2,4,6-tribromoanilino)methylene]chromane-2,4-dione
IUPAC Name: (3Z)-3-[sulfanyl-(2,4,6-tribromoanilino)methylidene]chromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[sulfanyl-[[2,4,6-tris(bromanyl)phenyl]amino]methylidene]chromene-2,4-dione
MOLECULAR FORMULA: C16H8Br3NO3S
MOLECULAR WEIGHT: 534.01662
SMILES: C1=CC=C2C(=C1)C(=O)/C(=C(\NC3=C(C=C(C=C3Br)Br)Br)/S)/C(=O)O2
Structure:
CAS RN: 143645-19-6
CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]-1H-pyrazol-4-one
OPENEYE Name: (5E)-5-[amino(hydroxy)methylene]-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-1H-pyrazol-4-one
IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1H-pyrazol-4-one
SYSTEMATIC NAME: (5E)-5-[azanyl(oxidanyl)methylidene]-3-[(2S,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrazol-4-one
MOLECULAR FORMULA: C9H13N3O5
MOLECULAR WEIGHT: 243.21662
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)C2=NN/C(=C(\N)/O)/C2=O)O)O
Structure:
CAS RN: 75873-86-8
CAS Name: N-[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(2-naphthalenylamino)-1-oxopentyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1R)-2-[[(1S)-1-[[(2S)-5-guanidino-2-(2-naphthylamino)pentanoyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(naphthalen-2-ylamino)pentanoyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C33H43N7O5
MOLECULAR WEIGHT: 617.73842
SMILES: C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 74686-86-5
CAS Name: (Z)-1-(4-azidophenyl)-2-diazonioethenolate
OPENEYE Name: (Z)-1-(4-azidophenyl)-2-diazonio-ethenolate
IUPAC Name: (Z)-1-(4-azidophenyl)-2-diazonioethenolate
SYSTEMATIC NAME: (Z)-1-(4-azidophenyl)-2-diazonio-ethenolate
MOLECULAR FORMULA: C8H5N5O
MOLECULAR WEIGHT: 187.1582
SMILES: C1=CC(=CC=C1/C(=C/[N+]#N)/[O-])N=[N+]=[N-]
Structure:
CAS RN: 119603-16-6
CAS Name: acetic acid [(2R,3S)-4-[[(2S)-2-[(2,4-dimethyl-1-oxooctyl)-methylamino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-[[1-[4-hydroxy-2-[(2-methyl-5-oxo-2H-pyrrol-1-yl)-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] ester
OPENEYE Name: [(1R,2S)-3-[[(2S)-2-[2,4-dimethyloctanoyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-2-[[1-[4-hydroxy-2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]-methyl-amino]-1-methyl-3-oxo-propyl] acetate
IUPAC Name: [(2R,3S)-4-[[(2S)-2-[2,4-dimethyloctanoyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[[1-[4-hydroxy-2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
SYSTEMATIC NAME: [(2R,3S)-4-[[(2S)-2-[2,4-dimethyloctanoyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[methyl-[3-methyl-1-[2-[(2-methyl-5-oxidanylidene-2H-pyrrol-1-yl)carbonyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butan-2-
MOLECULAR FORMULA: C43H65N5O10
MOLECULAR WEIGHT: 812.0037
SMILES: CCCCC(C)CC(C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)OC)C(=O)NC(=O)[C@H]([C@@H](C)OC(=O)C)N(C)C(C(C)C)C(=O)N2CC(CC2C(=O)N3C(C=CC3=O)C)O
Structure:
CAS RN: 119153-23-0
CAS Name: (6Z)-6-[[[5-chloro-4-(4-chlorophenyl)-2-oxazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[[5-chloro-4-(4-chlorophenyl)oxazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[5-chloranyl-4-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H10Cl2N2O2
MOLECULAR WEIGHT: 333.1688
SMILES: C1=C/C(=C/NC2=NC(=C(O2)Cl)C3=CC=C(C=C3)Cl)/C(=O)C=C1
Structure:
CAS RN: 119153-22-9
CAS Name: (6Z)-6-[[[4-(4-methylphenyl)-2-oxazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[[4-(p-tolyl)oxazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[[4-(4-methylphenyl)-1,3-oxazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[4-(4-methylphenyl)-1,3-oxazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: CC1=CC=C(C=C1)C2=COC(=N2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 119153-18-3
CAS Name: (6Z)-6-[[[5-bromo-4-(4-chlorophenyl)-2-thiazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[[5-bromo-4-(4-chlorophenyl)thiazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[[5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[5-bromanyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H10BrClN2OS
MOLECULAR WEIGHT: 393.6854
SMILES: C1=C/C(=C/NC2=NC(=C(S2)Br)C3=CC=C(C=C3)Cl)/C(=O)C=C1
Structure:
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