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Substance Name: Iturin A 2 8
RN: 83785-07-3
InChIKey: HNAPWDKFUSLFFE-UHFFFAOYSA-N

Molecular Formula

  • C48-H74-N12-O14

Molecular Weight

  • 1043.18
 
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Names and Synonyms

  • Iturin A 2 8

Registry Numbers

CAS Registry Number

  • 83785-07-3

System Generated Number

  • 0083785073

Structure Descriptors

InChI

1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)58-34(25-40(52)66)45(71)59-35(26-61)46(72)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,72)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,73)(H,59,71)

InChIKey

HNAPWDKFUSLFFE-UHFFFAOYSA-N

Smiles

C(N)(CC[C@@H]1NC(=O)[C@@H](CC(N)=O)NC([C@@H](NC([C@@H](NC(C[C@@H](NC([C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C1=O)CO)=O)CCCCCCCCCCC)=O)CC(N)=O)=O)Cc1ccc(O)cc1)=O)=O