(2S)-4-methyl-N-phenyl-2-[[(2S)-2-[(4-phenylphenyl)methylamino]-3-sulfanyl-propanoyl]amino]pentanamide

Systemtic Name: (2S)-4-methyl-N-phenyl-2-[[(2S)-2-[(4-phenylphenyl)methylamino]-3-sulfanyl-propanoyl]amino]pentanamide Openeye Name: (2S)-4-methyl-N-phenyl-2-[[(2S)-2-[(4-phenylphenyl)methylamino]-3-sulfanyl-propanoyl]amino]pentanamide CAS Name: (2S)-2-[[(2S)-3-mercapto-1-oxo-2-[(4-phenylphenyl)methylamino]propyl]amino]-4-methyl-N-phenylpentanamide IUPAC Name: (2S)-4-methyl-N-phenyl-2-[[(2S)-2-[(4-phenylphenyl)methylamino]-3-sulfanylpropanoyl]amino]pentanamide Traditional Name: (2S)-2-[[(2S)-3-mercapto-2-[(4-phenylbenzyl)amino]propanoyl]amino]-4-methyl-N-phenyl-valeramide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CS)NCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@@H](CS)NCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O2S/c1-20(2)17-25(27(32)30-24-11-7-4-8-12-24)31-28(33)26(19-34)29-18-21-13-15-23(16-14-21)22-9-5-3-6-10-22/h3-16,20,25-26,29,34H,17-19H2,1-2H3,(H,30,32)(H,31,33)/t25-,26+/m0/s1