Dehydrodidemnin B

Molecular Formula: C₅₇H₈₇N₇O₁₅

InChI: InChI=1/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34+,36-,39-,40-,41-,42+,43u,44-,46+,47+,49-/m0/s1/f/h58-60H

InChIKey: InChIKey=UUSZLLQJYRSZIS-OORTVSJZDR
SMILES: CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O

Names:
    Dehydrodidemnin B
    NSC638719
    (2S)-N-[(1R)-1-[[(3S,6R,8S,12S,13R,16R,17S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacos-16-yl]carbamoyl]-3-methyl-butyl]-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide
    137219-37-5

Registries:
    PubChem CID 5459174
    PubChem ID 8142211