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Substance Name: Dolastatin 12
RN: 122054-77-7
InChIKey: MLDFWFKDAWCBSV-RHXOOYMASA-N

Note

  • From extracts of Lyngbya majuscula/Schizothrix calcicola cyanobacterial assemblage.

Molecular Formula

  • C50-H80-N8-O11

Molecular Weight

  • 969.227
 
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Names and Synonyms

  • Dolastatin 12

Registry Numbers

CAS Registry Number

  • 122054-77-7

System Generated Number

  • 0122054777

Structure Descriptors

InChI

1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30?,31?,32-,33-,35?,36-,37-,40-,41?/m0/s1

InChIKey

MLDFWFKDAWCBSV-RHXOOYMASA-N

Smiles

CCC1C(C(=O)OC(C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)C(C(=O)N([C@H](C(=O)N1)C)C)(C)C)C)Cc2ccccc2)C)C(C)C)C)CC(C)C)C)C(C)CC)C