methyl 2-[2-[[3-methyl-5-[(6-oxidanylidene-1H-pyridin-2-yl)carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-[[3-methyl-5-[(6-oxidanylidene-1H-pyridin-2-yl)carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[[3-methyl-5-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[3-methyl-5-[[oxo-(6-oxo-1H-pyridin-2-yl)methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-methyl-5-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[[5-[(6-keto-1H-pyridine-2-carbonyl)amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C31H40N4O5S MolecularWeight: 580.7381

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=CC=CC(=O)N1)CCN(CC2=CC=CC3=CC=CC=C32)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(CCNC(=O)C1=CC=CC(=O)N1)CCN(CC2=CC=CC3=CC=CC=C32)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C31H40N4O5S/c1-22(14-17-32-30(38)26-12-7-13-28(36)33-26)15-18-35(20-24-10-6-9-23-8-4-5-11-25(23)24)21-29(37)34-27(16-19-41-3)31(39)40-2/h4-13,22,27H,14-21H2,1-3H3,(H,32,38)(H,33,36)(H,34,37)