4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-amino-4-methyl-pentanoyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-4-methyl-1-oxopentyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[(2-amino-4-methyl-pentanoyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C22H30N4O6 MolecularWeight: 446.4968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O6/c1-12(2)9-15(23)20(29)25-17(7-8-19(27)28)21(30)26-18(22(31)32)10-13-11-24-16-6-4-3-5-14(13)16/h3-6,11-12,15,17-18,24H,7-10,23H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)