2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4/c1-12(2)9-16(23)20(27)26-19(13(3)4)21(28)25-18(22(29)30)10-14-11-24-17-8-6-5-7-15(14)17/h5-8,11-13,16,18-19,24H,9-10,23H2,1-4H3,(H,25,28)(H,26,27)(H,29,30)