2-azanyl-3-[1-(2-azanylethanoyl)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-azanylethanoyl)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-aminoacetyl)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-(2-amino-1-oxoethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-aminoacetyl)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-glycyl-imidazol-4-yl]propionic acid Formula: C14H19N7O4 MolecularWeight: 349.34516

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)C2=NC(=CN2C(=O)CN)CC(C(=O)O)N)N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)C2=NC(=CN2C(=O)CN)CC(C(=O)O)N)N

InChI

InChI=1S/C14H19N7O4/c15-3-11(22)21-5-8(2-10(17)14(24)25)20-13(21)12(23)9(16)1-7-4-18-6-19-7/h4-6,9-10H,1-3,15-17H2,(H,18,19)(H,24,25)