(2S)-2-[[(2S)-3-naphthalen-2-yl-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-3-naphthalen-2-yl-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-3-(2-naphthyl)-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-mercapto-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-naphthalen-2-yl-2-sulfanylpropanoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-mercapto-3-(2-naphthyl)propanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C28H25NO3S/c30-27(26(33)18-20-12-15-22-8-4-5-9-24(22)16-20)29-25(28(31)32)17-19-10-13-23(14-11-19)21-6-2-1-3-7-21/h1-16,25-26,33H,17-18H2,(H,29,30)(H,31,32)/t25-,26-/m0/s1