Surfactin A2

Details

Stereochemistry	EPIMERIC
Molecular Formula	C51H89N7O13
Molecular Weight	1008.2915
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)CCCCCC[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=OPHUMQUDIPTYMA-KKJAMGEDSA-N

InChI=1S/C51H89N7O13/c1-13-33(12)18-16-14-15-17-19-34-26-41(59)52-35(20-21-42(60)61)45(64)53-36(22-28(2)3)46(65)55-38(24-30(6)7)49(68)58-44(32(10)11)50(69)56-39(27-43(62)63)48(67)54-37(23-29(4)5)47(66)57-40(25-31(8)9)51(70)71-34/h28-40,44H,13-27H2,1-12H3,(H,52,59)(H,53,64)(H,54,67)(H,55,65)(H,56,69)(H,57,66)(H,58,68)(H,60,61)(H,62,63)/t33?,34-,35+,36+,37-,38-,39+,40+,44+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C51H89N7O13
Molecular Weight	1008.2915
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:14:05 GMT 2025` Edited by `admin` on `Wed Apr 02 21:14:05 GMT 2025`
Record UNII	N6WK7SF4JA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ai-C13-Surfactin

Preferred Name

English

Surfactin A2

Common Name

English

Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxy-10-methyldodecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl)

Systematic Name

English

anteiso-C13-surfactin

Common Name

English

Code System Code Type Description

CAS

171039-17-1

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

2387637-98-9

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

ALTERNATIVE

PUBCHEM

171390218

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

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FDA UNII

N6WK7SF4JA

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

PRIMARY