Surfactin C2

Details

Stereochemistry	EPIMERIC
Molecular Formula	C53H93N7O13
Molecular Weight	1036.3446
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=AUGDZMMHGKDWLQ-UFNABWCNSA-N

InChI=1S/C53H93N7O13/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)/t35?,36-,37+,38+,39-,40-,41+,42+,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H93N7O13
Molecular Weight	1036.3446
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 19:21:56 GMT 2025` Edited by `admin` on `Wed Apr 02 19:21:56 GMT 2025`
Record UNII	TB8SZA9H69
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ai-C15-Surfactin

Preferred Name

English

Surfactin C2

Common Name

English

anteiso-C15-Surfactin

Common Name

English

Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxy-12-methyltetradecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl)

Systematic Name

English

Code System Code Type Description

CAS

2092672-44-9