(2S,3S)-4-aminocarbonyloxy-2-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-(sulfoamino)butanoic acid

Systemtic Name: (2S,3S)-4-aminocarbonyloxy-2-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-(sulfoamino)butanoic acid Openeye Name: (2S,3S)-2-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-4-carbamoyloxy-3-(sulfoamino)butanoic acid CAS Name: (2S,3S)-2-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-4-carbamoyloxy-3-(sulfoamino)butanoic acid IUPAC Name: (2S,3S)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-4-carbamoyloxy-3-(sulfoamino)butanoic acid Traditional Name: (2S,3S)-2-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-4-carbamoyloxy-3-(sulfoamino)butyric acid Formula: C12H16N6O11S2 MolecularWeight: 484.41904

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)N)C(=NOCC(=O)O)C(=O)NC(C(COC(=O)N)NS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(N=C(S1)N)/C(=N/OCC(=O)O)/C(=O)N[C@@H]([C@@H](COC(=O)N)NS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C12H16N6O11S2/c13-11-15-5(3-30-11)7(17-29-2-6(19)20)9(21)16-8(10(22)23)4(1-28-12(14)24)18-31(25,26)27/h3-4,8,18H,1-2H2,(H2,13,15)(H2,14,24)(H,16,21)(H,19,20)(H,22,23)(H,25,26,27)/b17-7-/t4-,8+/m1/s1