(4z,6e)-n-[2-[[(2s,3r)-1-[[(2s,3r)-3-amino-1-[[(2s,3s,4r)-5-amino-1-[[(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]amino]-3,4-dimethyl-1-oxohex-5-en-2-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienamide

Structural Information

Molecular Formula

C₆₇H₁₀₆ClN₁₃O₂₀

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(=C)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)O

InChI

InChI=1S/C67H106ClN13O20/c1-17-32(4)26-33(5)18-23-46(85)67(13,98)66(97)72-29-48(87)75-51(39(11)82)60(91)77-50(37(9)70)59(90)76-49(35(7)34(6)36(8)69)58(89)78-52-55(31(2)3)101-65(96)45-27-42(68)24-25-81(45)64(95)53(56(100-16)41-19-21-43(84)22-20-41)79-62(93)54(40(12)83)80(14)63(94)38(10)73-47(86)28-71-57(88)44(30-99-15)74-61(52)92/h18-23,26,31-32,34-35,37-40,42,44-46,49-56,82-85,98H,8,17,24-25,27-30,69-70H2,1-7,9-16H3,(H,71,88)(H,72,97)(H,73,86)(H,74,92)(H,75,87)(H,76,90)(H,77,91)(H,78,89)(H,79,93)/b23-18-,33-26+/t32?,34-,35+,37-,38+,39-,40-,42+,44-,45?,46?,49+,50+,51+,52-,53?,54?,55-,56-,67?/m1/s1

InChIKey

OCTRDCSLEFXPPA-IUXLKZTHSA-N

Compound name

(4Z,6E)-N-[2-[[(2S,3R)-1-[[(2S,3R)-3-amino-1-[[(2S,3S,4R)-5-amino-1-[[(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]amino]-3,4-dimethyl-1-oxohex-5-en-2-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienamide

Related CIDs

• CID 176457346