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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-15(22-21(27)28-12-16-8-4-2-5-9-16)19(24)23-18(20(25)26)14-29-13-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,22,27)(H,23,24)(H,25,26)