(4R)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethyl)phenyl]sulfanyl-pentanoic acid

Systemtic Name: (4R)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethyl)phenyl]sulfanyl-pentanoic acid Openeye Name: (4R)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid CAS Name: (4R)-4-[(1-oxo-7-phenylheptyl)amino]-5-[[4-(phenylmethyl)phenyl]thio]pentanoic acid IUPAC Name: (4R)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid Traditional Name: (4R)-5-[(4-benzylphenyl)thio]-4-(7-phenylheptanoylamino)valeric acid Formula: C31H37NO3S MolecularWeight: 503.69538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m1/s1