(3S)-3-azanyl-4-[[(2S)-3-cyclohexa-1,4-dien-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-3-cyclohexa-1,4-dien-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-1-(cyclohexa-1,4-dien-1-ylmethyl)-2-hydroxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-3-(1-cyclohexa-1,4-dienyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-3-cyclohexa-1,4-dien-1-yl-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-1-(cyclohexa-1,4-dien-1-ylmethyl)-2-hydroxy-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C1C=CCC(=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C13H18N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-2,5,9-10H,3-4,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1