3-azanyl-2-[(1-azanyl-3-oxidanyl-3-oxidanylidene-1-propylimino-propan-2-yl)diazenyl]-3-propylimino-propanoic acid

Systemtic Name: 3-azanyl-2-[(1-azanyl-3-oxidanyl-3-oxidanylidene-1-propylimino-propan-2-yl)diazenyl]-3-propylimino-propanoic acid Openeye Name: 3-amino-2-(2-amino-1-carboxy-2-propylimino-ethyl)azo-3-propylimino-propanoic acid CAS Name: 3-amino-2-(1-amino-3-hydroxy-3-oxo-1-propyliminopropan-2-yl)azo-3-propyliminopropanoic acid IUPAC Name: 3-amino-2-[(1-amino-3-hydroxy-3-oxo-1-propyliminopropan-2-yl)diazenyl]-3-propyliminopropanoic acid Traditional Name: 3-amino-2-(2-amino-1-carboxy-2-propylimino-ethyl)azo-3-propylimino-propionic acid Formula: C12H22N6O4 MolecularWeight: 314.34088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C(C(=O)O)N=NC(C(=NCCC)N)C(=O)O)N

Isomeric SMILES

CCCN=C(C(C(=O)O)N=NC(C(=NCCC)N)C(=O)O)N

InChI

InChI=1S/C12H22N6O4/c1-3-5-15-9(13)7(11(19)20)17-18-8(12(21)22)10(14)16-6-4-2/h7-8H,3-6H2,1-2H3,(H2,13,15)(H2,14,16)(H,19,20)(H,21,22)