MetaADEDB 2.0 @ LMMD
benzylpenicillenic acid
(HKMIVRINPALWDY-ZDUSSCGKSA-N)
Structure
SMILES
OC(=O)[C@@H](C(S)(C)C)N=Cc1nc(oc1O)Cc1ccccc1
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.390
Log P:
2.5515
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
3
TPSA:
134.72
CAS Number(s):
3264-88-8
Synonym(s)
1.
benzylpenicillenic acid
External Link(s)
MeSHC016262
PubChem Compound135659033
ChEBI60209
ZINC64633899
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact13761469CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120269

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.