(2r,3s)-4-[[(2s,3s)-3-amino-2-[[(z)-2-[[2-[[(4z,6e)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-n'-[(9s,15r,18r,19r,24s)-24-chloro-6-[(1r)-1-hydroxyethyl]-3-[(r)-(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

C₆₆H₁₀₂ClN₁₃O₁₉

SMILES

CCC(C)/C=C(\C)/C=C\C(C(C)C(=O)NCC(=O)N/C(=C\C)/C(=O)N[C@@H]([C@H](C)N)C(=O)NC([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1[C@H](OC(=O)C2C[C@H](CCN2C(=O)C(NC(=O)C(N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC1=O)COC)C)C)[C@@H](C)O)[C@@H](C3=CC=C(C=C3)O)OC)Cl)C(C)C)O

InChI

InChI=1S/C66H102ClN13O19/c1-16-32(5)26-33(6)18-23-46(83)36(9)57(87)70-29-48(85)73-43(17-2)59(89)76-50(37(10)68)61(91)75-49(34(7)35(8)56(69)86)60(90)77-51-54(31(3)4)99-66(96)45-27-41(67)24-25-80(45)65(95)52(55(98-15)40-19-21-42(82)22-20-40)78-63(93)53(39(12)81)79(13)64(94)38(11)72-47(84)28-71-58(88)44(30-97-14)74-62(51)92/h17-23,26,31-32,34-39,41,44-46,49-55,81-83H,16,24-25,27-30,68H2,1-15H3,(H2,69,86)(H,70,87)(H,71,88)(H,72,84)(H,73,85)(H,74,92)(H,75,91)(H,76,89)(H,77,90)(H,78,93)/b23-18-,33-26+,43-17-/t32?,34-,35+,36?,37-,38-,39+,41-,44+,45?,46?,49?,50-,51+,52?,53?,54+,55+/m0/s1

InChIKey

JTGKDTRWYWFPLP-IFNNMVLGSA-N

Compound name

(2R,3S)-4-[[(2S,3S)-3-amino-2-[[(Z)-2-[[2-[[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-N'-[(9S,15R,18R,19R,24S)-24-chloro-6-[(1R)-1-hydroxyethyl]-3-[(R)-(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 176457042