5-[4-(phenylmethyl)phenyl]sulfanyl-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid

Systemtic Name: 5-[4-(phenylmethyl)phenyl]sulfanyl-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid Openeye Name: 5-(4-benzylphenyl)sulfanyl-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid CAS Name: 4-[[1-oxo-3-(3-phenylpropoxy)propyl]amino]-5-[[4-(phenylmethyl)phenyl]thio]pentanoic acid IUPAC Name: 5-(4-benzylphenyl)sulfanyl-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid Traditional Name: 5-[(4-benzylphenyl)thio]-4-[3-(3-phenylpropoxy)propanoylamino]valeric acid Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO4S/c32-29(19-21-35-20-7-12-24-8-3-1-4-9-24)31-27(15-18-30(33)34)23-36-28-16-13-26(14-17-28)22-25-10-5-2-6-11-25/h1-6,8-11,13-14,16-17,27H,7,12,15,18-23H2,(H,31,32)(H,33,34)