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

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6/c1-3-11(2)18(21(30)31)25-20(29)16(9-17(26)27)24-19(28)14(22)8-12-10-23-15-7-5-4-6-13(12)15/h4-7,10-11,14,16,18,23H,3,8-9,22H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)