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

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]glutaric acid Formula: C20H26N4O9 MolecularWeight: 466.44184

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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(CCC(=O)O)C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O9/c21-12(8-11-4-2-1-3-5-11)18(30)24-14(9-17(28)29)19(31)22-10-15(25)23-13(20(32)33)6-7-16(26)27/h1-5,12-14H,6-10,21H2,(H,22,31)(H,23,25)(H,24,30)(H,26,27)(H,28,29)(H,32,33)