3-[[(Z)-2-[3-(3-azanyloxy-2-methyl-propanoyl)-1-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-5-oxidanyl-6-oxidanylidene-3,5-dihydro-1H-isoindol-4-yl]-1-oxidanyl-ethenyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(Z)-2-[3-(3-azanyloxy-2-methyl-propanoyl)-1-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-5-oxidanyl-6-oxidanylidene-3,5-dihydro-1H-isoindol-4-yl]-1-oxidanyl-ethenyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(Z)-2-[3-(3-aminooxy-2-methyl-propanoyl)-1-(2-hydrazino-2-oxo-ethyl)-5-hydroxy-2-methyl-6-oxo-3,5-dihydro-1H-isoindol-4-yl]-1-hydroxy-vinyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(Z)-2-[3-(3-aminooxy-2-methyl-1-oxopropyl)-1-(2-hydrazinyl-2-oxoethyl)-5-hydroxy-2-methyl-6-oxo-3,5-dihydro-1H-isoindol-4-yl]-1-hydroxyethenyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(Z)-2-[3-(3-aminooxy-2-methylpropanoyl)-1-(2-hydrazinyl-2-oxoethyl)-5-hydroxy-2-methyl-6-oxo-3,5-dihydro-1H-isoindol-4-yl]-1-hydroxyethenyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(Z)-2-[3-(3-aminooxy-2-methyl-propanoyl)-1-(2-hydrazino-2-keto-ethyl)-5-hydroxy-6-keto-2-methyl-3,5-dihydro-1H-isoindol-4-yl]-1-hydroxy-vinyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C21H30N6O10S MolecularWeight: 558.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=CC2=C3C(N(C(C3=CC(=O)C2O)CC(=O)NN)C)C(=O)C(C)CON)O

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)N/C(=C/C2=C3C(N(C(C3=CC(=O)C2O)CC(=O)NN)C)C(=O)C(C)CON)/O

InChI

InChI=1S/C21H30N6O10S/c1-8(7-37-23)19(31)18-16-10(12(26(18)3)6-15(30)25-22)4-13(28)20(32)11(16)5-14(29)24-17-9(2)27(21(17)33)38(34,35)36/h4-5,8-9,12,17-18,20,24,29,32H,6-7,22-23H2,1-3H3,(H,25,30)(H,34,35,36)/b14-5-