2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(1-naphthalen-1-yl-4-phenyl-cyclohexa-2,5-dien-1-yl)propanoic acid

Systemtic Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(1-naphthalen-1-yl-4-phenyl-cyclohexa-2,5-dien-1-yl)propanoic acid Openeye Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[1-(1-naphthyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[1-(1-naphthalenyl)-4-phenyl-1-cyclohexa-2,5-dienyl]propanoic acid IUPAC Name: 2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(1-naphthalen-1-yl-4-phenylcyclohexa-2,5-dien-1-yl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[1-(1-naphthyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]propionic acid Formula: C37H42N2O4S MolecularWeight: 610.80538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2(C=CC(C=C2)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2(C=CC(C=C2)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)O)S

InChI

InChI=1S/C37H42N2O4S/c1-25(2)23-32(44)33(40)39-37(19-8-9-20-37)35(43)38-31(34(41)42)24-36(30-16-10-14-28-13-6-7-15-29(28)30)21-17-27(18-22-36)26-11-4-3-5-12-26/h3-7,10-18,21-22,25,27,31-32,44H,8-9,19-20,23-24H2,1-2H3,(H,38,43)(H,39,40)(H,41,42)