U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H28N6O7S5
Molecular Weight 744.904
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERTICILLIN C

SMILES

CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]4NC5=CC=CC=C5[C@]4([C@@H]3O)[C@]67[C@H](NC8=CC=CC=C68)N9C(=O)[C@]%10(CO)SSS[C@@]9([C@H]7O)C(=O)N%10C

InChI

InChIKey=BMACAVUSMBJNME-LRESJZTJSA-N
InChI=1S/C30H28N6O7S5/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-48-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VERTICILLIN C [MI]
Preferred Name English
VERTICILLIN C
MI  
Common Name English
Code System Code Type Description
CAS
51798-48-2
Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025
PRIMARY
MERCK INDEX
m11434
Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025
PRIMARY Merck Index
PUBCHEM
72710713
Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025
PRIMARY
FDA UNII
6HF41H92UT
Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025
PRIMARY