2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]acetic acid IUPAC Name: 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]acetic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-18(24)11-21-19(25)17(14-28-13-16-9-5-2-6-10-16)22-20(26)27-12-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,25)(H,22,26)(H,23,24)