(2R)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylaminooxy)butanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylaminooxy)butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylaminooxy)-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylaminooxy)butyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylaminooxy)butanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylaminooxy)-3-methyl-butanoyl]amino]-3-mercapto-propionic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)O)ONC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)O)ONC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O6S/c1-10(2)13(14(19)17-12(9-25)15(20)21)24-18-16(22)23-8-11-6-4-3-5-7-11/h3-7,10,12-13,25H,8-9H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)/t12-,13-/m0/s1