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Substance Name: Cyclopeptolide
RN: 159170-92-0
InChIKey: VDCLCAXYTCLVQY-CTVGSUQISA-N

Molecular Formula

  • C57-H92-N10-O13

Molecular Weight

  • 1125.4108
 
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Names and Synonyms

Results Name

  • Cyclopeptolide

Synonym

  • Cyclopeptolide

Systematic Name

  • Cyclo(D-alanyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl-N-methyl-L-alpha-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl)

Registry Numbers

CAS Registry Number

  • 159170-92-0

System Generated Number

  • 0159170920

Structure Descriptors

InChI

1S/C57H92N10O13/c1-18-34(9)47-50(72)58-30-42(68)63(13)45(32(5)6)51(73)60-39(28-37-23-25-38(80-17)26-24-37)49(71)59-36(11)53(75)67-27-21-20-22-40(67)54(76)64(14)46(33(7)8)52(74)61-44(31(3)4)56(78)62(12)41(29-43(69)70)55(77)66(16)48(35(10)19-2)57(79)65(47)15/h23-26,31-36,39-41,44-48H,18-22,27-30H2,1-17H3,(H,58,72)(H,59,71)(H,60,73)(H,61,74)(H,69,70)/t34?,35?,36-,39-,40?,41-,44-,45-,46-,47-,48-/m0/s1

InChIKey

VDCLCAXYTCLVQY-CTVGSUQISA-N

Smiles

CCC(C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCCCC2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)Cc3ccc(cc3)OC)C(C)C)C