(3r)-3-[3-aminopropyl-dihydroxy-tetrakis[(1r)-1-hydroxyethyl]-isopropyl-[(4-methoxyphenyl)methyl]-methyl-tridecaoxo-tridecyl-[?]yl]-3-hydroxy-propanamide

Structural Information

Molecular Formula

C₇₂H₁₁₈N₁₄O₂₃

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)CCCN)[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)OC)C)[C@@H](C)O

InChI

InChI=1S/C72H118N14O23/c1-10-11-12-13-14-15-16-17-18-19-20-22-46-33-53(95)79-56(39(5)87)66(101)76-38(4)62(97)78-48(31-43-24-26-45(108-9)27-25-43)63(98)81-55(37(2)3)70(105)86-36-44(91)32-49(86)64(99)82-58(41(7)89)68(103)83-59(42(8)90)71(106)85-30-28-50(92)61(85)69(104)84-60(51(93)34-52(74)94)65(100)75-35-54(96)80-57(40(6)88)67(102)77-47(23-21-29-73)72(107)109-46/h24-27,37-42,44,46-51,55-61,87-93H,10-23,28-36,73H2,1-9H3,(H2,74,94)(H,75,100)(H,76,101)(H,77,102)(H,78,97)(H,79,95)(H,80,96)(H,81,98)(H,82,99)(H,83,103)(H,84,104)/t38-,39-,40-,41-,42-,44-,46-,47+,48+,49+,50+,51-,55+,56-,57-,58-,59+,60+,61+/m1/s1

InChIKey

GYKNCGOPWBYWIE-IKNHVYBVSA-N

Compound name

(3R)-3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-18-[(4-methoxyphenyl)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 485152