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

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O6/c1-12(2)9-18(22(31)32)26-21(30)17(25-20(29)15(23)7-8-19(27)28)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)