2-[(2-azanyl-3-sulfanyl-propanoyl)-[3-[(4-phenylphenyl)methyl]cyclohexyl]amino]ethanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)-[3-[(4-phenylphenyl)methyl]cyclohexyl]amino]ethanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)-[3-[(4-phenylphenyl)methyl]cyclohexyl]amino]acetic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)-[3-[(4-phenylphenyl)methyl]cyclohexyl]amino]acetic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)-[3-[(4-phenylphenyl)methyl]cyclohexyl]amino]acetic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)-[3-(4-phenylbenzyl)cyclohexyl]amino]acetic acid Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N(CC(=O)O)C(=O)C(CS)N)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC(CC(C1)N(CC(=O)O)C(=O)C(CS)N)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3S/c25-22(16-30)24(29)26(15-23(27)28)21-8-4-5-18(14-21)13-17-9-11-20(12-10-17)19-6-2-1-3-7-19/h1-3,6-7,9-12,18,21-22,30H,4-5,8,13-16,25H2,(H,27,28)