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Substance Name: Surfactin peptide
RN: 24730-31-2
InChIKey: NJGWOFRZMQRKHT-VCSJJJAWSA-N

Note

  • Antineoplastic product isolated from Bacillus sp.

Classification Codes

  • Anti-Infective Agents
  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Antiviral Agents
  • Enzyme Inhibitors

Molecular Formula

  • C53-H93-N7-O13

Molecular Weight

  • 1036.35
 
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Names and Synonyms

Name of Substance

  • Surfactin peptide

Systematic Name

  • Surfactin

Registry Numbers

CAS Registry Number

  • 24730-31-2

System Generated Number

  • 0024730312

Structure Descriptors

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

InChIKey

NJGWOFRZMQRKHT-VCSJJJAWSA-N

Smiles

C(C[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](NC([C@@H](NC([C@H](NC(=O)C1)CCC(O)=O)=O)CC(C)C)=O)CC(C)C)=O)C(C)C)CC(O)=O)CC(C)C)CCCCCCCC(C)C