Surfactin C1

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

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=NJGWOFRZMQRKHT-WGVNQGGSSA-N

InChI=1S/C53H93N7O13/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)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H93N7O13
Molecular Weight	1036.3446
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 `Mon Mar 31 21:55:36 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:36 GMT 2025`
Record UNII	E6T3DJ8ZVE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Surfactin C1

Common Name

English

iso-C15-Surfactin

Preferred Name

English

Leucine, N-[N-[N-[N-[N-[N-[N-(3-hydroxy-13-methyltetradecanoyl)-L-?-glutamyl]-L-leucyl]-D-leucyl]-L-valyl]-L-?-aspartyl]-D-leucyl]-, ?-lactone, L-

Systematic Name

English

Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxy-13-methyltetradecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl)

Systematic Name

English

Cyclo[L-?-aspartyl-D-leucyl-L-leucyl-(3R)-3-hydroxy-13-methyltetradecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl]

Systematic Name

English

Code System Code Type Description

PUBCHEM

65307