Noducyclamide b1

Structural Information

Molecular Formula

C₆₄H₁₁₂N₁₄O₁₉

SMILES

CCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C(C)C)O)[C@@H](C)O)CC(=O)N)[C@@H](C)CC)C)CCC(=O)N)[C@H](C(C)C)O)C)[C@H](C(C)C)O)C(C)C

InChI

InChI=1S/C64H112N14O19/c1-16-18-19-20-21-22-37-25-44(84)71-45(29(3)4)57(90)76-49(52(85)31(7)8)60(93)67-34(12)54(87)75-50(53(86)32(9)10)61(94)69-39(23-24-42(65)82)63(96)77(15)51(33(11)17-2)62(95)70-40(27-43(66)83)55(88)74-48(36(14)80)64(97)78-28-38(81)26-41(78)56(89)72-46(30(5)6)58(91)73-47(35(13)79)59(92)68-37/h29-41,45-53,79-81,85-86H,16-28H2,1-15H3,(H2,65,82)(H2,66,83)(H,67,93)(H,68,92)(H,69,94)(H,70,95)(H,71,84)(H,72,89)(H,73,91)(H,74,88)(H,75,87)(H,76,90)/t33-,34-,35+,36+,37+,38+,39-,40+,41-,45-,46+,47-,48-,49+,50+,51-,52-,53-/m0/s1

InChIKey

AKDZKWRYVSGFBB-JOJSOTNPSA-N

Compound name

3-[(3S,6R,9S,12S,15R,18S,21R,24S,28R,31S,34R,37S,39R)-6-(2-amino-2-oxoethyl)-9-[(2S)-butan-2-yl]-28-heptyl-39-hydroxy-3,31-bis[(1R)-1-hydroxyethyl]-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24,34-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide

Related CIDs

• CID 171990241