3-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-2-azanyl-propanoic acid; (phenylmethyl) hydrogen carbonate

Systemtic Name: 3-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-2-azanyl-propanoic acid; (phenylmethyl) hydrogen carbonate Openeye Name: 3-[(2-acetamido-3-hydroxy-3-oxo-propyl)disulfanyl]-2-amino-propanoic acid; benzyl hydrogen carbonate CAS Name: 3-[(2-acetamido-3-hydroxy-3-oxopropyl)disulfanyl]-2-aminopropanoic acid; carbonic acid (phenylmethyl) ester IUPAC Name: 3-[(2-acetamido-3-hydroxy-3-oxopropyl)disulfanyl]-2-aminopropanoic acid; benzyl hydrogen carbonate Traditional Name: 3-[(2-acetamido-3-hydroxy-3-keto-propyl)disulfanyl]-2-amino-propionic acid; carbonic acid benzyl ester Formula: C16H22N2O8S2 MolecularWeight: 434.48448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSSCC(C(=O)O)N)C(=O)O.C1=CC=C(C=C1)COC(=O)O

Isomeric SMILES

CC(=O)NC(CSSCC(C(=O)O)N)C(=O)O.C1=CC=C(C=C1)COC(=O)O

InChI

InChI=1S/C8H14N2O5S2.C8H8O3/c1-4(11)10-6(8(14)15)3-17-16-2-5(9)7(12)13;9-8(10)11-6-7-4-2-1-3-5-7/h5-6H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15);1-5H,6H2,(H,9,10)