6-azanyl-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]propanoylamino]hexanoic acid Formula: C22H33N5O7 MolecularWeight: 479.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C22H33N5O7/c1-13(19(30)26-16(22(33)34)9-5-6-10-23)25-21(32)17(12-18(28)29)27-20(31)15(24)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-17H,5-6,9-12,23-24H2,1H3,(H,25,32)(H,26,30)(H,27,31)(H,28,29)(H,33,34)