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Details

Stereochemistry MIXED
Molecular Formula C23H21N3O8S
Molecular Weight 499.493
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of P-NITROBENZYL 3-METHYLENE-7-(PHENOXYACETAMIDO)CEPHAM-4-CARBOXYLATE 1-OXIDE

SMILES

[H][C@@]12[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N1C(C(=O)OCC4=CC=C(C=C4)[N+]([O-])=O)C(=C)C[S+]2[O-]

InChI

InChIKey=HBKWKOGDTHDLLR-KVDBJTRHSA-N
InChI=1S/C23H21N3O8S/c1-14-13-35(32)22-19(24-18(27)12-33-17-5-3-2-4-6-17)21(28)25(22)20(14)23(29)34-11-15-7-9-16(10-8-15)26(30)31/h2-10,19-20,22H,1,11-13H2,(H,24,27)/t19-,20?,22-,35?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
P-NITROBENZYL 3-METHYLENE-7-(PHENOXYACETAMIDO)CEPHAM-4-CARBOXYLATE 1-OXIDE
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCTANE-2-CARBOXYLIC ACID, 3-METHYLENE-8-OXO-7-((PHENOXYACETYL)AMINO)-, (4-NITROPHENYL)METHYL ESTER, 5-OXIDE, (6R,7R)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90722406
Created by admin on Fri Dec 15 15:56:18 GMT 2023 , Edited by admin on Fri Dec 15 15:56:18 GMT 2023
PRIMARY
CAS
63427-57-6
Created by admin on Fri Dec 15 15:56:18 GMT 2023 , Edited by admin on Fri Dec 15 15:56:18 GMT 2023
PRIMARY
FDA UNII
0UOR5G6CHT
Created by admin on Fri Dec 15 15:56:18 GMT 2023 , Edited by admin on Fri Dec 15 15:56:18 GMT 2023
PRIMARY
PUBCHEM
12780259
Created by admin on Fri Dec 15 15:56:18 GMT 2023 , Edited by admin on Fri Dec 15 15:56:18 GMT 2023
PRIMARY