3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[(2S,3R,4R,5S)-2,3,4,5,6-pentaacetyloxyhexanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula:
C27H32N4O14S3
InChI: InChI=1/C27H32N4O14S3/c1-10-29-30-27(48-10)47-9-16-8-46-25-18(24(38)31(25)19(16)26(39)40)28-23(37)22(45-15(6)36)21(44-14(5)35)20(43-13(4)34)17(42-12(3)33)7-41-11(2)32/h17-18,20-22,25H,7-9H2,1-6H3,(H,28,37)(H,39,40)/t17-,18?,20+,21+,22-,25?/m0/s1/f/h28,39H
InChIKey: InChIKey=PIJVJLTUWAMRET-MOCKIOFJDY
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC2)C(=O)O
Names:
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[(2S,3R,4R,5S)-2,3,4,5,6-pentaacetyloxyhexanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Registries:
PubChem CID 2817320
PubChem ID 3276563
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