Surfactin B2

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 Search

SMILES

CCCCCCCCCCC[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=AFWTZXXDGQBIKW-JIXKVBNCSA-N

InChI=1S/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-35-28-42(60)53-36(22-23-43(61)62)46(65)54-37(24-30(2)3)47(66)56-39(26-32(6)7)50(69)59-45(34(10)11)51(70)57-40(29-44(63)64)49(68)55-38(25-31(4)5)48(67)58-41(27-33(8)9)52(71)72-35/h30-41,45H,12-29H2,1-11H3,(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

Molecular Formula	C52H91N7O13
Molecular Weight	1022.318
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:42:12 GMT 2025` Edited by `admin` on `Wed Apr 02 19:42:12 GMT 2025`
Record UNII	C688VDW92D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Surfactin B2

Common Name

English

Cyclo[L-?-aspartyl-D-leucyl-L-leucyl-(3R)-3-hydroxytetradecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl]

Preferred Name

English

Surfactin E

Common Name

English

Code System Code Type Description

PUBCHEM

10796104

Created by admin on Wed Apr 02 19:42:12 GMT 2025 , Edited by admin on Wed Apr 02 19:42:12 GMT 2025

PRIMARY

CAS

222834-52-8

Created by admin on Wed Apr 02 19:42:12 GMT 2025 , Edited by admin on Wed Apr 02 19:42:12 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

87099-78-3

Created by admin on Wed Apr 02 19:42:12 GMT 2025 , Edited by admin on Wed Apr 02 19:42:12 GMT 2025

PRIMARY

FDA UNII

C688VDW92D

Created by admin on Wed Apr 02 19:42:12 GMT 2025 , Edited by admin on Wed Apr 02 19:42:12 GMT 2025

PRIMARY