(2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-mercapto-1-oxo-4-phenylbutyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-3-(4-phenylphenyl)-2-[[(2S)-4-phenyl-2-sulfanylbutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-mercapto-4-phenyl-butanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C25H25NO3S/c27-24(23(30)16-13-18-7-3-1-4-8-18)26-22(25(28)29)17-19-11-14-21(15-12-19)20-9-5-2-6-10-20/h1-12,14-15,22-23,30H,13,16-17H2,(H,26,27)(H,28,29)/t22-,23-/m0/s1