2-[3-[[(1r)-3-amino-1-hydroxy-3-oxo-propyl]-dihydroxy-tetrakis[(1r)-1-hydroxyethyl]-[(4-hydroxyphenyl)methyl]-isopropyl-methyl-tridecaoxo-tridecyl-[?]yl]propylamino]acetic acid

Structural Information

Molecular Formula

C₇₃H₁₁₈N₁₄O₂₅

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)CCCNCC(=O)O)[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/C73H118N14O25/c1-9-10-11-12-13-14-15-16-17-18-19-21-46-32-53(97)80-57(39(5)88)67(105)77-38(4)63(101)79-48(30-43-23-25-44(92)26-24-43)64(102)82-56(37(2)3)71(109)87-36-45(93)31-49(87)65(103)83-59(41(7)90)69(107)84-60(42(8)91)72(110)86-29-27-50(94)62(86)70(108)85-61(51(95)33-52(74)96)66(104)76-34-54(98)81-58(40(6)89)68(106)78-47(73(111)112-46)22-20-28-75-35-55(99)100/h23-26,37-42,45-51,56-62,75,88-95H,9-22,27-36H2,1-8H3,(H2,74,96)(H,76,104)(H,77,105)(H,78,106)(H,79,101)(H,80,97)(H,81,98)(H,82,102)(H,83,103)(H,84,107)(H,85,108)(H,99,100)/t38-,39-,40-,41-,42-,45-,46-,47+,48+,49+,50+,51-,56+,57-,58-,59-,60+,61+,62+/m1/s1

InChIKey

OOOLDNKKORJZAC-OPIJAOTLSA-N

Compound name

2-[3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-40-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-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-31-yl]propylamino]acetic acid

Related CIDs

• CID 485147