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Substance Name: Ancovenin
RN: 88201-41-6
InChIKey: IZALPRHQQKHANA-KNFRTYLHSA-N

Note

  • From Streptomyces sp.

Molecular Formula

  • C85-H121-N23-O25-S3

Molecular Weight

  • 1961.2249
 
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Names and Synonyms

Name of Substance

  • Ancovenin

Systematic Name

  • Ancovenin

Registry Numbers

CAS Registry Number

  • 88201-41-6

System Generated Number

  • 0088201416

Structure Descriptors

InChI

1S/C85H121N23O25S3/c1-41(2)28-53-76(123)95-51-23-27-135-38-59(80(127)93-43(5)69(116)99-54(29-44-14-7-6-8-15-44)71(118)92-35-66(113)108-25-13-19-62(108)83(130)102-53)106-82(129)61-40-136-39-60(105-79(126)58(36-109)103-77(124)55(100-75(51)122)30-45-33-90-48-17-10-9-16-46(45)48)81(128)101-57(32-67(114)115)72(119)91-34-65(112)94-56(31-64(89)111)78(125)96-50(74(121)98-52(85(132)133)18-11-12-24-86)22-26-134-37-47(87)70(117)107-68(42(3)4)84(131)97-49(73(120)104-61)20-21-63(88)110/h6-10,14-17,33,41-42,47,49-62,68,90,109H,5,11-13,18-32,34-40,86-87H2,1-4H3,(H2,88,110)(H2,89,111)(H,91,119)(H,92,118)(H,93,127)(H,94,112)(H,95,123)(H,96,125)(H,97,131)(H,98,121)(H,99,116)(H,100,122)(H,101,128)(H,102,130)(H,103,124)(H,104,120)(H,105,126)(H,106,129)(H,107,117)(H,114,115)(H,132,133)/t47-,49-,50+,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,68-/m0/s1

InChIKey

IZALPRHQQKHANA-KNFRTYLHSA-N

Smiles

CC(C)C[C@H]1C(=O)N[C@@H]2CCSC[C@@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N1)Cc4ccccc4)NC(=O)[C@H]5CSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCC(=O)N)C(C)C)N)C(=O)N[C@@H](CCCCN)C(=O)O)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc6c[nH]c7c6cccc7)CO