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

Systemtic Name: 2-[2-[[3-methyl-5-[(6-oxidanylidene-1H-pyridin-2-yl)carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[3-methyl-5-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoic acid 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 IUPAC Name: 2-[[2-[[3-methyl-5-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[5-[(6-keto-1H-pyridine-2-carbonyl)amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C30H38N4O5S MolecularWeight: 566.71152

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O5S/c1-21(13-16-31-29(37)25-11-6-12-27(35)32-25)14-17-34(20-28(36)33-26(30(38)39)15-18-40-2)19-23-9-5-8-22-7-3-4-10-24(22)23/h3-12,21,26H,13-20H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39)