Sodium surfactin C2

Details

Stereochemistry	EPIMERIC
Molecular Formula	C53H91N7O13.2Na
Molecular Weight	1080.3083
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CCC(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=YVLCFJUXZGMVSD-YJXIKFMBSA-L

InChI=1S/C53H93N7O13.2Na/c1-13-35(12)20-18-16-14-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-30(2)3)48(67)57-40(26-32(6)7)51(70)60-46(34(10)11)52(71)58-41(29-45(64)65)50(69)56-39(25-31(4)5)49(68)59-42(27-33(8)9)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/t35?,36-,37+,38+,39-,40-,41+,42+,46+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C53H91N7O13
Molecular Weight	1034.3287
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:41:39 GMT 2025` Edited by `admin` on `Wed Apr 02 19:41:39 GMT 2025`
Record UNII	FJ5TJ46NYA
Record Status	`Validated (UNII)`
Record Version

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Sodium surfactin C2

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FDA UNII

FJ5TJ46NYA

Created by admin on Wed Apr 02 19:41:39 GMT 2025 , Edited by admin on Wed Apr 02 19:41:39 GMT 2025

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PUBCHEM

171390180

Created by admin on Wed Apr 02 19:41:39 GMT 2025 , Edited by admin on Wed Apr 02 19:41:39 GMT 2025

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