2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butyric acid Formula: C25H35N5O7 MolecularWeight: 517.5747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O7/c1-12(2)20(29-22(33)16(26)10-19(31)32)24(35)28-18(23(34)30-21(13(3)4)25(36)37)9-14-11-27-17-8-6-5-7-15(14)17/h5-8,11-13,16,18,20-21,27H,9-10,26H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)(H,31,32)(H,36,37)