(2r,3s,4s)-4-[[(2s,3s)-3-amino-2-[[(2s,3r)-3-hydroxy-2-[[2-[[(z)-3-hydroxy-6,8-dimethylnon-4-enoyl]amino]acetyl]amino]butanoyl]amino]butanoyl]amino]-n'-[(3s,6r,9s,12s,18r,21r,22r)-9-[(1r)-1-hydroxyethyl]-6-[(r)-(4-hydroxyphenyl)-methoxymethyl]-18-(methoxymethyl)-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-2,3-dimethylpentanediamide

Structural Information

Molecular Formula

C₆₃H₁₀₃N₁₃O₂₀

SMILES

C[C@@H]1[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)O1)C)C)[C@@H](C2=CC=C(C=C2)O)OC)[C@@H](C)O)C)CC(C)C)COC)NC(=O)[C@H]([C@@H](C)[C@@H](C)C(=O)N)NC(=O)[C@H]([C@H](C)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CC(/C=C\C(C)CC(C)C)O

InChI

InChI=1S/C63H103N13O20/c1-29(2)23-31(5)17-20-41(80)25-44(81)66-26-46(83)70-49(36(10)77)58(88)72-48(34(8)64)57(87)71-47(32(6)33(7)54(65)84)56(86)73-50-38(12)96-63(93)35(9)75(13)62(92)51(53(95-16)39-18-21-40(79)22-19-39)74-60(90)52(37(11)78)76(14)61(91)42(24-30(3)4)68-45(82)27-67-55(85)43(28-94-15)69-59(50)89/h17-22,29-38,41-43,47-53,77-80H,23-28,64H2,1-16H3,(H2,65,84)(H,66,81)(H,67,85)(H,68,82)(H,69,89)(H,70,83)(H,71,87)(H,72,88)(H,73,86)(H,74,90)/b20-17-/t31?,32-,33+,34-,35-,36+,37+,38+,41?,42-,43+,47-,48-,49-,50+,51+,52-,53+/m0/s1

InChIKey

LSLDOZCJMUOLCO-OSFMDGKVSA-N

Compound name

(2R,3S,4S)-4-[[(2S,3S)-3-amino-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(Z)-3-hydroxy-6,8-dimethylnon-4-enoyl]amino]acetyl]amino]butanoyl]amino]butanoyl]amino]-N'-[(3S,6R,9S,12S,18R,21R,22R)-9-[(1R)-1-hydroxyethyl]-6-[(R)-(4-hydroxyphenyl)-methoxymethyl]-18-(methoxymethyl)-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-2,3-dimethylpentanediamide

Related CIDs

• CID 129901041