Chembl428817

Structural Information

Molecular Formula

C₇₃H₁₁₈N₁₄O₂₄

SMILES

CCCCCCCCCCCCC[C@@H]1CC(=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)N3CC[C@@H]([C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CCCNC(=O)C)[C@@H](C)O)[C@@H](CC(=O)N)O)O)[C@@H](C)O)[C@@H](C)O)O)C(C)C)CC4=CC=C(C=C4)O)C)[C@@H](C)O

InChI

InChI=1S/C73H118N14O24/c1-10-11-12-13-14-15-16-17-18-19-20-22-47-33-54(98)80-57(39(5)88)67(104)77-38(4)63(100)79-49(31-44-24-26-45(93)27-25-44)64(101)82-56(37(2)3)71(108)87-36-46(94)32-50(87)65(102)83-59(41(7)90)69(106)84-60(42(8)91)72(109)86-30-28-51(95)62(86)70(107)85-61(52(96)34-53(74)97)66(103)76-35-55(99)81-58(40(6)89)68(105)78-48(73(110)111-47)23-21-29-75-43(9)92/h24-27,37-42,46-52,56-62,88-91,93-96H,10-23,28-36H2,1-9H3,(H2,74,97)(H,75,92)(H,76,103)(H,77,104)(H,78,105)(H,79,100)(H,80,98)(H,81,99)(H,82,101)(H,83,102)(H,84,106)(H,85,107)/t38-,39-,40-,41-,42-,46-,47-,48+,49+,50+,51+,52-,56+,57-,58-,59-,60+,61+,62+/m1/s1

InChIKey

ZIQDAZYBWYCHNY-CHFQVLRHSA-N

Compound name

(3R)-3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-31-(3-acetamidopropyl)-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-propan-2-yl-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecazatricyclo[41.3.0.09,13]hexatetracontan-40-yl]-3-hydroxypropanamide

Related CIDs

• CID 485146