3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(1-carboxy-2-hydroxy-propyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-carboxy-2-hydroxy-propyl)amino]-4-keto-3-(tyrosylamino)butyric acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O8/c1-8(21)14(17(27)28)20-16(26)12(7-13(23)24)19-15(25)11(18)6-9-2-4-10(22)5-3-9/h2-5,8,11-12,14,21-22H,6-7,18H2,1H3,(H,19,25)(H,20,26)(H,23,24)(H,27,28)