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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O9/c1-10(17(29)24-14(20(32)33)9-16(27)28)22-19(31)13(8-15(25)26)23-18(30)12(21)7-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9,21H2,1H3,(H,22,31)(H,23,30)(H,24,29)(H,25,26)(H,27,28)(H,32,33)