(2S,3S)-2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-hydroxy-butyrate Formula: C16H15N2O6- MolecularWeight: 331.3001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C)O

InChI

InChI=1S/C16H16N2O6/c1-3-6-18-14(21)10-5-4-9(7-11(10)15(18)22)13(20)17-12(8(2)19)16(23)24/h3-5,7-8,12,19H,1,6H2,2H3,(H,17,20)(H,23,24)/p-1/t8-,12-/m0/s1