2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid hydrochloride

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid hydrochloride Openeye Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid hydrochloride CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid hydrochloride IUPAC Name: 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid hydrochloride Traditional Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid hydrochloride Formula: C21H31ClN4O4 MolecularWeight: 438.94824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4.ClH/c1-11(2)17(22)19(26)25-18(12(3)4)20(27)24-16(21(28)29)9-13-10-23-15-8-6-5-7-14(13)15;/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29);1H