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

Systemtic Name: 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-mercapto-propionic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(=O)NC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C14H18N2O5S/c17-12(16-11(9-22)13(18)19)6-7-15-14(20)21-8-10-4-2-1-3-5-10/h1-5,11,22H,6-9H2,(H,15,20)(H,16,17)(H,18,19)