2-azanyl-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanylpropanoyl)-3-phenylmethoxycarbonyl-butanedioic acid

Systemtic Name: 2-azanyl-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanylpropanoyl)-3-phenylmethoxycarbonyl-butanedioic acid Openeye Name: 2-amino-3-(2-amino-3-methyl-butanoyl)-2-(2-aminopropanoyl)-3-benzyloxycarbonyl-butanedioic acid CAS Name: 2-amino-3-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxopropyl)-3-phenylmethoxycarbonylbutanedioic acid IUPAC Name: 2-amino-3-(2-amino-3-methylbutanoyl)-2-(2-aminopropanoyl)-3-phenylmethoxycarbonylbutanedioic acid Traditional Name: 2-alanyl-2-amino-3-(2-amino-3-methyl-butanoyl)-3-carbobenzoxy-succinic acid Formula: C20H27N3O8 MolecularWeight: 437.44368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O8/c1-10(2)13(22)15(25)19(16(26)27,20(23,17(28)29)14(24)11(3)21)18(30)31-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,21-23H2,1-3H3,(H,26,27)(H,28,29)