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

Systemtic Name: 4-[(2-azanyl-3-methyl-butanoyl)amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-amino-3-methyl-butanoyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-3-methyl-1-oxobutyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-amino-3-methylbutanoyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[(2-amino-3-methyl-butanoyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6/c1-11(2)18(22)20(29)24-15(7-8-17(26)27)19(28)25-16(21(30)31)9-12-10-23-14-6-4-3-5-13(12)14/h3-6,10-11,15-16,18,23H,7-9,22H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)