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

Systemtic Name: 1-[2-azanylpropanoyl(phenylcarbonyl)amino]-2-(3-azanylpropyl)-2-methoxy-3,6-bis(oxidanylidene)cyclohexane-1-carboxylic acid Openeye Name: 1-[2-aminopropanoyl(benzoyl)amino]-2-(3-aminopropyl)-2-methoxy-3,6-dioxo-cyclohexanecarboxylic acid CAS Name: 1-[(2-amino-1-oxopropyl)-benzoylamino]-2-(3-aminopropyl)-2-methoxy-3,6-dioxo-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-aminopropanoyl(benzoyl)amino]-2-(3-aminopropyl)-2-methoxy-3,6-dioxocyclohexane-1-carboxylic acid Traditional Name: 1-[alanyl(benzoyl)amino]-2-(3-aminopropyl)-3,6-diketo-2-methoxy-cyclohexanecarboxylic acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)C1=CC=CC=C1)C2(C(=O)CCC(=O)C2(CCCN)OC)C(=O)O)N

Isomeric SMILES

CC(C(=O)N(C(=O)C1=CC=CC=C1)C2(C(=O)CCC(=O)C2(CCCN)OC)C(=O)O)N

InChI

InChI=1S/C21H27N3O7/c1-13(23)17(27)24(18(28)14-7-4-3-5-8-14)21(19(29)30)16(26)10-9-15(25)20(21,31-2)11-6-12-22/h3-5,7-8,13H,6,9-12,22-23H2,1-2H3,(H,29,30)