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

Systemtic Name: 2-azanyl-2-(2-azanyl-4,4-dimethoxy-1-oxidanylidene-1-phenylmethoxy-3-sulfanyl-butan-2-yl)-3-oxidanylidene-hexanoic acid Openeye Name: 2-amino-2-(1-amino-1-benzyloxycarbonyl-3,3-dimethoxy-2-sulfanyl-propyl)-3-oxo-hexanoic acid CAS Name: 2-amino-2-(2-amino-3-mercapto-4,4-dimethoxy-1-oxo-1-phenylmethoxybutan-2-yl)-3-oxohexanoic acid IUPAC Name: 2-amino-2-(2-amino-4,4-dimethoxy-1-oxo-1-phenylmethoxy-3-sulfanylbutan-2-yl)-3-oxohexanoic acid Traditional Name: 2-amino-2-(1-amino-1-carbobenzoxy-2-mercapto-3,3-dimethoxy-propyl)-3-keto-hexanoic acid Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O7S/c1-4-8-13(22)18(20,16(23)24)19(21,14(29)15(26-2)27-3)17(25)28-11-12-9-6-5-7-10-12/h5-7,9-10,14-15,29H,4,8,11,20-21H2,1-3H3,(H,23,24)