2-(2-azanylethyl)-1-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-methoxy-3,6-bis(oxidanylidene)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(2-azanylethyl)-1-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-methoxy-3,6-bis(oxidanylidene)cyclohexane-1-carboxylic acid Openeye Name: 2-(2-aminoethyl)-1-[2-aminopropanoyl(benzyloxycarbonyl)amino]-2-methoxy-3,6-dioxo-cyclohexanecarboxylic acid CAS Name: 2-(2-aminoethyl)-1-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-2-methoxy-3,6-dioxo-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2-aminoethyl)-1-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-methoxy-3,6-dioxocyclohexane-1-carboxylic acid Traditional Name: 1-[alanyl(carbobenzoxy)amino]-2-(2-aminoethyl)-3,6-diketo-2-methoxy-cyclohexanecarboxylic acid Formula: C21H27N3O8 MolecularWeight: 449.45438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C2(C(=O)CCC(=O)C2(CCN)OC)C(=O)O)N

Isomeric SMILES

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C2(C(=O)CCC(=O)C2(CCN)OC)C(=O)O)N

InChI

InChI=1S/C21H27N3O8/c1-13(23)17(27)24(19(30)32-12-14-6-4-3-5-7-14)21(18(28)29)16(26)9-8-15(25)20(21,31-2)10-11-22/h3-7,13H,8-12,22-23H2,1-2H3,(H,28,29)