(3S)-3-(7-phenylheptanoylamino)-4-[4-(phenylmethyl)phenyl]sulfanyl-butanoic acid

Systemtic Name: (3S)-3-(7-phenylheptanoylamino)-4-[4-(phenylmethyl)phenyl]sulfanyl-butanoic acid Openeye Name: (3S)-4-(4-benzylphenyl)sulfanyl-3-(7-phenylheptanoylamino)butanoic acid CAS Name: (3S)-3-[(1-oxo-7-phenylheptyl)amino]-4-[[4-(phenylmethyl)phenyl]thio]butanoic acid IUPAC Name: (3S)-4-(4-benzylphenyl)sulfanyl-3-(7-phenylheptanoylamino)butanoic acid Traditional Name: (3S)-4-[(4-benzylphenyl)thio]-3-(7-phenylheptanoylamino)butyric acid Formula: C30H35NO3S MolecularWeight: 489.6688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)NC(CC(=O)O)CSC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)N[C@@H](CC(=O)O)CSC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C30H35NO3S/c32-29(16-10-2-1-5-11-24-12-6-3-7-13-24)31-27(22-30(33)34)23-35-28-19-17-26(18-20-28)21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-20,27H,1-2,5,10-11,16,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1