2-(2-azanyl-3H-benzimidazol-5-yl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-(2-azanyl-3H-benzimidazol-5-yl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoic acid Openeye Name: 2-(2-amino-3H-benzimidazol-5-yl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetic acid CAS Name: 2-(2-amino-3H-benzimidazol-5-yl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-(2-amino-3H-benzimidazol-5-yl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetic acid Traditional Name: 2-(2-amino-3H-benzimidazol-5-yl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetic acid Formula: C16H18N6O5 MolecularWeight: 374.35132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC3=C(C=C2)N=C(N3)N)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC3=C(C=C2)N=C(N3)N)C(=O)O

InChI

InChI=1S/C16H18N6O5/c1-2-21-5-6-22(13(24)12(21)23)16(27)20-11(14(25)26)8-3-4-9-10(7-8)19-15(17)18-9/h3-4,7,11H,2,5-6H2,1H3,(H,20,27)(H,25,26)(H3,17,18,19)