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

Systemtic Name: (2S)-2-[[(2S)-3-cyclohexyl-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-3-cyclohexyl-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-3-cyclohexyl-2-mercapto-1-oxopropyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-cyclohexyl-2-sulfanylpropanoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-3-cyclohexyl-2-mercapto-propanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C24H29NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h2,5-6,9-14,17,21-22,29H,1,3-4,7-8,15-16H2,(H,25,26)(H,27,28)/t21-,22-/m0/s1