Noducyclamide b2

Structural Information

Molecular Formula

C₆₄H₁₁₂N₁₄O₁₈

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)CC(C)C)C)[C@H](C(C)C)O)C(C)C

InChI

InChI=1S/C64H112N14O18/c1-16-18-19-20-21-22-38-26-46(84)72-47(31(5)6)58(90)76-51(53(85)33(9)10)61(93)67-35(12)54(86)70-41(25-30(3)4)55(87)69-40(23-24-44(65)82)63(95)77(15)52(34(11)17-2)62(94)71-42(28-45(66)83)56(88)75-50(37(14)80)64(96)78-29-39(81)27-43(78)57(89)73-48(32(7)8)59(91)74-49(36(13)79)60(92)68-38/h30-43,47-53,79-81,85H,16-29H2,1-15H3,(H2,65,82)(H2,66,83)(H,67,93)(H,68,92)(H,69,87)(H,70,86)(H,71,94)(H,72,84)(H,73,89)(H,74,91)(H,75,88)(H,76,90)/t34-,35-,36+,37+,38+,39+,40-,41+,42+,43-,47-,48+,49-,50-,51+,52-,53-/m0/s1

InChIKey

OEZSZHBVZQZGTM-GGMNOJBWSA-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]-21-[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-15-(2-methylpropyl)-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 171990380