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

Details

Stereochemistry ABSOLUTE
Molecular Formula C52H91N7O13
Molecular Weight 1022.318
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Surfactin B1

SMILES

CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1

InChI

InChIKey=DDULCZLFAKVKJB-JIXKVBNCSA-N
InChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
iso-C14-surfactin
Preferred Name English
Surfactin B1
Common Name English
Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxy-12-methyltridecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl)
Systematic Name English
Code System Code Type Description
FDA UNII
JK78Y9DQ7Z
Created by admin on Wed Apr 02 21:05:57 GMT 2025 , Edited by admin on Wed Apr 02 21:05:57 GMT 2025
PRIMARY
CAS
136109-79-0
Created by admin on Wed Apr 02 21:05:57 GMT 2025 , Edited by admin on Wed Apr 02 21:05:57 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
2387637-99-0
Created by admin on Wed Apr 02 21:05:57 GMT 2025 , Edited by admin on Wed Apr 02 21:05:57 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
1419881-49-4
Created by admin on Wed Apr 02 21:05:57 GMT 2025 , Edited by admin on Wed Apr 02 21:05:57 GMT 2025
PRIMARY
PUBCHEM
46226665
Created by admin on Wed Apr 02 21:05:57 GMT 2025 , Edited by admin on Wed Apr 02 21:05:57 GMT 2025
PRIMARY