2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid dihydrochloride

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid dihydrochloride Openeye Name: 2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid dihydrochloride CAS Name: 2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid dihydrochloride IUPAC Name: 2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid dihydrochloride Traditional Name: 2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid dihydrochloride Formula: C22H30Cl2N6O4 MolecularWeight: 513.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CN=CN3)N.Cl.Cl

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CN=CN3)N.Cl.Cl

InChI

InChI=1S/C22H28N6O4.2ClH/c1-12(2)19(28-20(29)16(23)8-14-10-24-11-26-14)21(30)27-18(22(31)32)7-13-9-25-17-6-4-3-5-15(13)17;;/h3-6,9-12,16,18-19,25H,7-8,23H2,1-2H3,(H,24,26)(H,27,30)(H,28,29)(H,31,32);2*1H