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

Structural Information

Molecular Formula

C₇₁H₁₁₄N₁₄O₂₂

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#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/C71H114N14O22/c1-9-10-11-12-13-14-15-16-17-18-19-21-46-34-52(94)78-55(39(5)86)65(100)75-38(4)61(96)77-48(32-43-23-25-44(90)26-24-43)62(97)80-54(37(2)3)69(104)85-36-45(91)33-49(85)63(98)81-57(41(7)88)67(102)82-58(42(8)89)70(105)84-31-28-51(93)60(84)68(103)83-59(50(92)27-30-73)64(99)74-35-53(95)79-56(40(6)87)66(101)76-47(22-20-29-72)71(106)107-46/h23-26,37-42,45-51,54-60,86-93H,9-22,27-29,31-36,72H2,1-8H3,(H,74,99)(H,75,100)(H,76,101)(H,77,96)(H,78,94)(H,79,95)(H,80,97)(H,81,98)(H,82,102)(H,83,103)/t38-,39-,40-,41-,42-,45-,46-,47+,48+,49+,50-,51+,54+,55-,56-,57-,58+,59+,60+/m1/s1

InChIKey

JOOMODNNYSOVJA-RPDBLKDGSA-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-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-hydroxypropanenitrile

Related CIDs

• CID 485150