2-azanyl-2-(2-azanyl-3-ethanoylsulfanyl-4,4-dimethoxy-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-2-(2-azanyl-3-ethanoylsulfanyl-4,4-dimethoxy-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)-3-oxidanylidene-hexanoic acid Openeye Name: 2-(2-acetylsulfanyl-1-amino-1-benzyloxycarbonyl-3,3-dimethoxy-propyl)-2-amino-3-oxo-hexanoic acid CAS Name: 2-[3-(acetylthio)-2-amino-4,4-dimethoxy-1-oxo-1-phenylmethoxybutan-2-yl]-2-amino-3-oxohexanoic acid IUPAC Name: 2-(3-acetylsulfanyl-2-amino-4,4-dimethoxy-1-oxo-1-phenylmethoxybutan-2-yl)-2-amino-3-oxohexanoic acid Traditional Name: 2-[2-(acetylthio)-1-amino-1-carbobenzoxy-3,3-dimethoxy-propyl]-2-amino-3-keto-hexanoic acid Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)O)(C(C(C(OC)OC)SC(=O)C)(C(=O)OCC1=CC=CC=C1)N)N

Isomeric SMILES

CCCC(=O)C(C(=O)O)(C(C(C(OC)OC)SC(=O)C)(C(=O)OCC1=CC=CC=C1)N)N

InChI

InChI=1S/C21H30N2O8S/c1-5-9-15(25)20(22,18(26)27)21(23,16(32-13(2)24)17(29-3)30-4)19(28)31-12-14-10-7-6-8-11-14/h6-8,10-11,16-17H,5,9,12,22-23H2,1-4H3,(H,26,27)