2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-(benzylthio)propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c24-19(11-12-22-21(27)28-13-16-7-3-1-4-8-16)23-18(20(25)26)15-29-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,27)(H,23,24)(H,25,26)