methyl 2-[[1-[(3-oxidanyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-phenylphenyl)propanoate

Systemtic Name: methyl 2-[[1-[(3-oxidanyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]-3-(4-phenylphenyl)propanoate Openeye Name: methyl 2-[[1-[(3-hydroxy-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenylphenyl)propanoate CAS Name: 2-[[[1-[(3-hydroxy-2-mercapto-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-hydroxy-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenylphenyl)propanoate Traditional Name: 2-[[1-[(3-hydroxy-2-mercapto-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-phenylphenyl)propionic acid methyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S/c1-17(29)22(34)23(30)28-26(14-6-7-15-26)25(32)27-21(24(31)33-2)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,17,21-22,29,34H,6-7,14-16H2,1-2H3,(H,27,32)(H,28,30)