2-azanyl-2-methyl-3-[1-(phenylmethoxycarbonylamino)propan-2-ylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-2-methyl-3-[1-(phenylmethoxycarbonylamino)propan-2-ylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(benzyloxycarbonylamino)-1-methyl-ethyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-amino-2-methyl-3-[1-(phenylmethoxycarbonylamino)propan-2-ylthio]propanoic acid IUPAC Name: 2-amino-2-methyl-3-[1-(phenylmethoxycarbonylamino)propan-2-ylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[2-(benzyloxycarbonylamino)-1-methyl-ethyl]thio]-2-methyl-propionic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OCC1=CC=CC=C1)SCC(C)(C(=O)O)N

Isomeric SMILES

CC(CNC(=O)OCC1=CC=CC=C1)SCC(C)(C(=O)O)N

InChI

InChI=1S/C15H22N2O4S/c1-11(22-10-15(2,16)13(18)19)8-17-14(20)21-9-12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3,(H,17,20)(H,18,19)