4-[2-[1-ethyl-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzimidazol-2-yl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[1-ethyl-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzimidazol-2-yl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[1-ethyl-5-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]benzimidazol-2-yl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[1-ethyl-5-[[(1-hydroxy-1-oxopropan-2-yl)amino]-oxomethyl]-2-benzimidazolyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[1-ethyl-5-[(1-hydroxy-1-oxopropan-2-yl)carbamoyl]benzimidazol-2-yl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[1-ethyl-5-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]benzimidazol-2-yl]ethylamino]-4-keto-butyric acid Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC(C)C(=O)O)N=C1CCNC(=O)CCC(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC(C)C(=O)O)N=C1CCNC(=O)CCC(=O)O

InChI

InChI=1S/C19H24N4O6/c1-3-23-14-5-4-12(18(27)21-11(2)19(28)29)10-13(14)22-15(23)8-9-20-16(24)6-7-17(25)26/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,24)(H,21,27)(H,25,26)(H,28,29)