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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H91N7O13.2Na
Molecular Weight 1080.3083
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium surfactin C1

SMILES

[Na+].[Na+].CC(C)CCCCCCCCC[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=NVJZDYXTGXQXJG-ASFOPBTJSA-L
InChI=1S/C53H93N7O13.2Na/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36;;/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65);;/q;2*+1/p-2/t36-,37+,38+,39-,40-,41+,42+,46+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Surfactin C1, disodium salt
Preferred Name English
Sodium surfactin C1
Common Name English
Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxy-13-methyltetradecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl), sodium salt (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
79R59JQ2WS
Created by admin on Wed Apr 02 19:46:36 GMT 2025 , Edited by admin on Wed Apr 02 19:46:36 GMT 2025
PRIMARY
CAS
2452406-74-3
Created by admin on Wed Apr 02 19:46:36 GMT 2025 , Edited by admin on Wed Apr 02 19:46:36 GMT 2025
PRIMARY
PUBCHEM
171390196
Created by admin on Wed Apr 02 19:46:36 GMT 2025 , Edited by admin on Wed Apr 02 19:46:36 GMT 2025
PRIMARY
CAS
374088-07-0
Created by admin on Wed Apr 02 19:46:36 GMT 2025 , Edited by admin on Wed Apr 02 19:46:36 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY