(3S)-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butyric acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C=O

InChI

InChI=1S/C15H18N2O6/c1-9(19)16-13(6-10-2-4-12(20)5-3-10)15(23)17-11(8-18)7-14(21)22/h2-5,8,11,13,20H,6-7H2,1H3,(H,16,19)(H,17,23)(H,21,22)/t11-,13-/m0/s1