5-azanyl-2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)-4-oxidanylidene-hexanoic acid

Systemtic Name: 5-azanyl-2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)-4-oxidanylidene-hexanoic acid Openeye Name: 5-amino-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)-4-oxo-hexanoic acid CAS Name: 5-amino-2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)-4-oxohexanoic acid IUPAC Name: 5-amino-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)-4-oxohexanoic acid Traditional Name: 5-amino-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)-4-keto-hexanoic acid Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C1=CN=CN1)C(C(=O)O)NC(=O)CCN)N

Isomeric SMILES

CC(C(=O)C(C1=CN=CN1)C(C(=O)O)NC(=O)CCN)N

InChI

InChI=1S/C12H19N5O4/c1-6(14)11(19)9(7-4-15-5-16-7)10(12(20)21)17-8(18)2-3-13/h4-6,9-10H,2-3,13-14H2,1H3,(H,15,16)(H,17,18)(H,20,21)