(2r)-2-amino-5-[3-[[(1r)-3-amino-1-hydroxy-3-oxo-propyl]-dihydroxy-tetrakis[(1r)-1-hydroxyethyl]-[(4-hydroxyphenyl)methyl]-isopropyl-methyl-tridecaoxo-tridecyl-[?]yl]propylamino]pentanoic acid

Structural Information

Molecular Formula

C₇₆H₁₂₅N₁₅O₂₅

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)CCCNCCC[C@H](C(=O)O)N)[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/C76H125N15O25/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(101)84-59(41(5)92)69(107)81-40(4)65(103)83-51(33-45-25-27-46(96)28-26-45)66(104)86-58(39(2)3)73(111)91-38-47(97)34-52(91)67(105)87-61(43(7)94)71(109)88-62(44(8)95)74(112)90-32-29-53(98)64(90)72(110)89-63(54(99)36-55(78)100)68(106)80-37-57(102)85-60(42(6)93)70(108)82-50(76(115)116-48)24-21-31-79-30-20-23-49(77)75(113)114/h25-28,39-44,47-54,58-64,79,92-99H,9-24,29-38,77H2,1-8H3,(H2,78,100)(H,80,106)(H,81,107)(H,82,108)(H,83,103)(H,84,101)(H,85,102)(H,86,104)(H,87,105)(H,88,109)(H,89,110)(H,113,114)/t40-,41-,42-,43-,44-,47-,48-,49-,50+,51+,52+,53+,54-,58+,59-,60-,61-,62+,63+,64+/m1/s1

InChIKey

AQIWWNOASOZFBC-FBMJCZFYSA-N

Compound name

(2R)-2-amino-5-[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]pentanoic acid

Related CIDs

• CID 485133
• CID 485148