2-[(phenethylcarbamoylamino)-phenyl-methyl]-4-phenylmethoxycarbonylsulfanyl-butanoic acid

Systemtic Name: 2-[(phenethylcarbamoylamino)-phenyl-methyl]-4-phenylmethoxycarbonylsulfanyl-butanoic acid Openeye Name: 4-benzyloxycarbonylsulfanyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid CAS Name: 2-[[[oxo-(phenethylamino)methyl]amino]-phenylmethyl]-4-(phenylmethoxycarbonylthio)butanoic acid IUPAC Name: 2-[(phenethylcarbamoylamino)-phenylmethyl]-4-phenylmethoxycarbonylsulfanylbutanoic acid Traditional Name: 4-(carbobenzoxythio)-2-[(phenethylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(C2=CC=CC=C2)C(CCSC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(C2=CC=CC=C2)C(CCSC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H30N2O5S/c31-26(32)24(17-19-36-28(34)35-20-22-12-6-2-7-13-22)25(23-14-8-3-9-15-23)30-27(33)29-18-16-21-10-4-1-5-11-21/h1-15,24-25H,16-20H2,(H,31,32)(H2,29,30,33)