2-[[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid (Q27166362)

DSSTox_CID_2640 (English)

9 October 2016

2 references

inferred from InChIKey

1 reference

C₁₃H₁₇N₅O₈S₂

1 reference

DSSTox_CID_2640 (English)

9 October 2016

canonical SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N

1 reference

DSSTox_CID_2640 (English)

9 October 2016

isomeric SMILES

C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N

1 reference

DSSTox_CID_2640 (English)

InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

DSSTox_CID_2640 (English)

WZPBZJONDBGPKJ-FSPLSTOPSA-N

9 October 2016

InChIKey

2 references

DSSTox_CID_2640 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

2-({[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid (English)

9 October 2016

1 reference

DSSTox_CID_2640 (English)

9 October 2016

ChEBI ID

94511

mapping relation type

1 reference

2-[[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid (English)

9 October 2016

1 reference