CARBENICILLIN INDANYL

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Synonyms
Status
Molecule Category Free-form
UNII 5V278481KE
EPA CompTox DTXSID6048705

Structure

InChI Key JIRBAUWICKGBFE-MNRDOXJOSA-N
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26N2O6S
Molecular Weight 494.57
AlogP 2.5
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 113.01
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Related Entries

Cross References

Resources Reference
ChEBI 52015
ChEMBL CHEMBL1596
DrugBank DB09319
DrugCentral 508
FDA SRS 5V278481KE
PubChem 93184
SureChEMBL SCHEMBL33855
CONTENTS