1-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]proline Formula: C22H30N4O9 MolecularWeight: 494.495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)N)O

InChI

InChI=1S/C22H30N4O9/c1-11(27)18(21(33)26-8-2-3-16(26)22(34)35)25-20(32)15(9-12-4-6-13(28)7-5-12)24-19(31)14(23)10-17(29)30/h4-7,11,14-16,18,27-28H,2-3,8-10,23H2,1H3,(H,24,31)(H,25,32)(H,29,30)(H,34,35)