5-(aminocarbonylamino)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid

Systemtic Name: 5-(aminocarbonylamino)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid Openeye Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-5-ureido-pentanoic acid CAS Name: 5-(carbamoylamino)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]pentanoic acid IUPAC Name: 5-(carbamoylamino)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanoic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-5-ureido-valeric acid Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCNC(=O)N)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C(=O)NC(CCCNC(=O)N)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N6O5/c1-9(22-14(24)10-5-2-3-6-11(10)20-21-22)13(23)19-12(15(25)26)7-4-8-18-16(17)27/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,19,23)(H,25,26)(H3,17,18,27)