2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-naphthalen-1-ylphenyl)propanoic acid

Systemtic Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(1-naphthyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(1-naphthalenyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(1-naphthyl)phenyl]propionic acid Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O)S

InChI

InChI=1S/C31H36N2O4S/c1-20(2)18-27(38)28(34)33-31(16-5-6-17-31)30(37)32-26(29(35)36)19-21-12-14-23(15-13-21)25-11-7-9-22-8-3-4-10-24(22)25/h3-4,7-15,20,26-27,38H,5-6,16-19H2,1-2H3,(H,32,37)(H,33,34)(H,35,36)