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

Systemtic Name: 4-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-carboxy-2-methyl-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-carboxy-2-methyl-propyl)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)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

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

InChI

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