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

Systemtic Name: 3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butanoic acid Openeye Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-[(1-hydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(1-hydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-4-keto-3-(tyrosylamino)butyric acid Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7/c1-8(16(25)26)18-15(24)12(7-13(21)22)19-14(23)11(17)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)