3-(2-carboxyoxypyrrolidin-1-yl)-2-[ethylamino-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)amino]-3-oxidanylidene-2-pyrrolidin-1-yl-propanoic acid

Systemtic Name: 3-(2-carboxyoxypyrrolidin-1-yl)-2-[ethylamino-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)amino]-3-oxidanylidene-2-pyrrolidin-1-yl-propanoic acid Openeye Name: 3-(2-carboxyoxypyrrolidin-1-yl)-2-[ethylamino-(6-oxocyclohexa-1,3-dien-1-yl)amino]-3-oxo-2-pyrrolidin-1-yl-propanoic acid CAS Name: 3-(2-carboxyoxy-1-pyrrolidinyl)-2-[ethylamino-(6-oxo-1-cyclohexa-1,3-dienyl)amino]-3-oxo-2-(1-pyrrolidinyl)propanoic acid IUPAC Name: 3-(2-carboxyoxypyrrolidin-1-yl)-2-[ethylamino-(6-oxocyclohexa-1,3-dien-1-yl)amino]-3-oxo-2-pyrrolidin-1-ylpropanoic acid Traditional Name: 3-(2-carboxyoxypyrrolidino)-2-[ethylamino-(6-ketocyclohexa-1,3-dien-1-yl)amino]-3-keto-2-pyrrolidino-propionic acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

CCNN(C1=CC=CCC1=O)C(C(=O)N2CCCC2OC(=O)O)(C(=O)O)N3CCCC3

Isomeric SMILES

CCNN(C1=CC=CCC1=O)C(C(=O)N2CCCC2OC(=O)O)(C(=O)O)N3CCCC3

InChI

InChI=1S/C20H28N4O7/c1-2-21-24(14-8-3-4-9-15(14)25)20(18(27)28,22-11-5-6-12-22)17(26)23-13-7-10-16(23)31-19(29)30/h3-4,8,16,21H,2,5-7,9-13H2,1H3,(H,27,28)(H,29,30)