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

Systemtic Name: 6-azanyl-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]hexanoic acid Formula: C21H31N5O7 MolecularWeight: 465.50014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O7/c22-9-5-4-8-15(21(32)33)25-17(27)12-24-20(31)16(11-18(28)29)26-19(30)14(23)10-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,22-23H2,(H,24,31)(H,25,27)(H,26,30)(H,28,29)(H,32,33)