6-azanyl-2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C22H31N5O6/c23-10-4-3-7-17(22(32)33)26-21(31)18(27-20(30)15(24)8-9-19(28)29)11-13-12-25-16-6-2-1-5-14(13)16/h1-2,5-6,12,15,17-18,25H,3-4,7-11,23-24H2,(H,26,31)(H,27,30)(H,28,29)(H,32,33)