(2r,3s,4s)-4-[[(2s,3s)-3-amino-2-[[(2r,3r)-2-[[2-[[(4z,6e)-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-n'-[(6r,9s,15r,18r,19r,22s)-6-[(1r)-1-hydroxyethyl]-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide

Structural Information

Molecular Formula

C₆₆H₁₀₅N₁₃O₂₁

SMILES

CCC(C)/C=C(\C)/C=C\C(C(C)(C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC1=O)COC)C)C)[C@@H](C)O)C(C3=CC=C(C=C3)O)OC)C(C)C)O)O

InChI

InChI=1S/C66H105N13O21/c1-16-32(4)27-33(5)20-25-44(83)66(12,97)65(96)70-29-46(85)73-49(38(10)80)59(90)75-48(36(8)67)58(89)74-47(34(6)35(7)55(68)86)57(88)76-50-53(31(2)3)100-64(95)43-19-17-18-26-79(43)63(94)51(54(99-15)40-21-23-41(82)24-22-40)77-61(92)52(39(11)81)78(13)62(93)37(9)71-45(84)28-69-56(87)42(30-98-14)72-60(50)91/h20-25,27,31-32,34-39,42-44,47-54,80-83,97H,16-19,26,28-30,67H2,1-15H3,(H2,68,86)(H,69,87)(H,70,96)(H,71,84)(H,72,91)(H,73,85)(H,74,89)(H,75,90)(H,76,88)(H,77,92)/b25-20-,33-27+/t32?,34-,35+,36-,37-,38+,39+,42+,43-,44?,47-,48-,49+,50+,51?,52+,53+,54?,66?/m0/s1

InChIKey

MKAKHXFSEWECNW-MGGNZISXSA-N

Compound name

(2R,3S,4S)-4-[[(2S,3S)-3-amino-2-[[(2R,3R)-2-[[2-[[(4Z,6E)-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-N'-[(6R,9S,15R,18R,19R,22S)-6-[(1R)-1-hydroxyethyl]-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide

Related CIDs

• CID 6475361