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Substance Name: Axinastatin 3
RN: 153723-35-4
InChIKey: ANLDPEXRVVIABH-WUUSPZRJSA-N

Note

  • A cycloheptapeptide; from marine sponge Axinella sp.

Molecular Weight

  • 780.962
 
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Names and Synonyms

Name of Substance

  • Axinastatin 3

Synonym

  • Cyclo(pro-val-asn-pro-phe-ile-leu)

Systematic Name

  • Axinastatin 1, 4-L-isoleucine-5-L-leucine-

Registry Numbers

CAS Registry Number

  • 153723-35-4

System Generated Number

  • 0153723354

Structure Descriptors

InChI

1S/C40H60N8O8/c1-7-24(6)33-38(54)43-27(19-22(2)3)39(55)48-18-12-16-30(48)36(52)45-32(23(4)5)37(53)44-28(21-31(41)49)40(56)47-17-11-15-29(47)35(51)42-26(34(50)46-33)20-25-13-9-8-10-14-25/h8-10,13-14,22-24,26-30,32-33H,7,11-12,15-21H2,1-6H3,(H2,41,49)(H,42,51)(H,43,54)(H,44,53)(H,45,52)(H,46,50)/t24-,26-,27-,28-,29-,30-,32+,33-/m0/s1

InChIKey

ANLDPEXRVVIABH-WUUSPZRJSA-N

Smiles

c1(ccccc1)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC([C@@H]2CCCN2C([C@@H](NC([C@H]([C@@H](C)CC)NC1=O)=O)CC(C)C)=O)=O)CC(N)=O