Aciculitamide a

Structural Information

Molecular Formula

C₆₃H₉₀N₁₄O₂₃

SMILES

CCCCCCC/C=C/C=C/[C@H]([C@@H](C(=O)N/C(=C/C)/C(=O)N[C@H]1[C@@H](NC(=O)[C@@H]2C[C@]3(C(=NC(=O)N3)C4=C(C=CC(=C4)CC(C(=O)N/C(=C/C)/C(=O)NC(C(=O)NCC(=O)N[C@@H](C(=O)N2)CCC(=O)N)[C@H](CC(=O)N)O)NC(=O)[C@H](NC1=O)[C@@H](C)O)O)OC)C)O)OC5[C@H]([C@H]([C@@H](CO5)O)O)O

InChI

InChI=1S/C63H90N14O23/c1-7-10-11-12-13-14-15-16-17-18-41(100-61-50(87)48(85)40(81)28-99-61)49(86)60(96)70-34(9-3)52(88)73-45-29(4)67-56(92)37-26-63(98-6)51(76-62(97)77-63)32-23-31(19-21-38(32)79)24-36(71-59(95)46(30(5)78)74-58(45)94)55(91)69-33(8-2)53(89)75-47(39(80)25-43(65)83)57(93)66-27-44(84)68-35(54(90)72-37)20-22-42(64)82/h8-9,15-19,21,23,29-30,35-37,39-41,45-50,61,78-81,85-87H,7,10-14,20,22,24-28H2,1-6H3,(H2,64,82)(H2,65,83)(H,66,93)(H,67,92)(H,68,84)(H,69,91)(H,70,96)(H,71,95)(H,72,90)(H,73,88)(H,74,94)(H,75,89)(H,77,97)/b16-15+,18-17+,33-8+,34-9+/t29-,30+,35+,36?,37-,39-,40+,41+,45-,46+,47?,48-,49-,50-,61?,63+/m0/s1

InChIKey

CZQRZTKBULVTIS-UKINIQPISA-N

Compound name

(2S,3R,4E,6E)-N-[(E)-1-[[(1S,4R,13E,27R,31S,32S,35R)-10-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-4-(3-amino-3-oxopropyl)-13-ethylidene-21-hydroxy-35-[(1R)-1-hydroxyethyl]-27-methoxy-31-methyl-3,6,9,12,15,25,29,33,36-nonaoxo-2,5,8,11,14,24,26,30,34,37-decazatetracyclo[14.12.9.118,22.023,27]octatriaconta-18(38),19,21,23-tetraen-32-yl]amino]-1-oxobut-2-en-2-yl]-2-hydroxy-3-[(3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetradeca-4,6-dienamide

Related CIDs

• CID 135899558