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

Systemtic Name: 2-azanyl-3-[3-(2-azanylethanoyl)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-aminoacetyl)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]phenyl]propanoic acid CAS Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-(2-amino-1-oxoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-aminoacetyl)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-glycyl-phenyl]propionic acid Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CC(C(=O)O)N)C(=O)C(CC2=CN=CN2)N)C(=O)CN

Isomeric SMILES

C1=CC(=C(C(=C1)CC(C(=O)O)N)C(=O)C(CC2=CN=CN2)N)C(=O)CN

InChI

InChI=1S/C17H21N5O4/c18-6-14(23)11-3-1-2-9(4-13(20)17(25)26)15(11)16(24)12(19)5-10-7-21-8-22-10/h1-3,7-8,12-13H,4-6,18-20H2,(H,21,22)(H,25,26)