Methyl n-[(2r)-1-[[(2s,3r)-1-[[(2s)-4-amino-1-[[(3r)-1-[[(2s)-1-[[(2s)-1-[[(2s)-4-amino-1-[[(1s,4r,7s,10s,16s,19s,20r,23r,26r,29s,32s,33r)-10,16-bis(2-amino-2-oxoethyl)-4-[(2r)-butan-2-yl]-23-[(2s)-butan-2-yl]-29-[2-(carbamoylamino)-2-oxoethyl]-33-hydroxy-7,14,20,26,32-pentamethyl-3,6,9,12,15,18,22,25,28,31,35-undecaoxo-21-oxa-2,5,8,11,14,17,24,27,30,34-decazabicyclo[31.3.0]hexatriacontan-19-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-methylamino]-1,4-dioxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Structural Information

Molecular Formula

C₉₂H₁₄₈N₂₄O₂₈

SMILES

CC[C@@H](C)[C@@H]1C(=O)N[C@H]2CC(=O)N[C@]2([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC(=O)N)C)CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C([C@H](C)CC)N(C)C(=O)[C@H](CC(=O)N)N(C)C(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OC)C)[C@@H](C)CC)C)CC(=O)NC(=O)N)C)O

InChI

InChI=1S/C92H148N24O28/c1-24-44(9)68-81(131)105-60-40-66(122)110-92(60,142)48(13)74(124)101-55(38-65(121)106-90(97)140)78(128)99-50(15)76(126)108-69(45(10)25-2)89(139)144-51(16)70(82(132)103-57(37-63(95)119)83(133)111(17)41-67(123)100-53(35-61(93)117)77(127)98-49(14)75(125)107-68)109-79(129)54(36-62(94)118)102-80(130)58(33-42(5)6)112(18)86(136)71(43(7)8)114(20)88(138)73(47(12)27-4)116(22)85(135)59(39-64(96)120)113(19)87(137)72(46(11)26-3)115(21)84(134)56(104-91(141)143-23)34-52-31-29-28-30-32-52/h28-32,42-51,53-60,68-73,142H,24-27,33-41H2,1-23H3,(H2,93,117)(H2,94,118)(H2,95,119)(H2,96,120)(H,98,127)(H,99,128)(H,100,123)(H,101,124)(H,102,130)(H,103,132)(H,104,141)(H,105,131)(H,107,125)(H,108,126)(H,109,129)(H,110,122)(H3,97,106,121,140)/t44-,45+,46-,47-,48-,49+,50-,51-,53+,54+,55+,56-,57+,58+,59+,60+,68-,69-,70+,71+,72+,73?,92-/m1/s1

InChIKey

LVVUIMMDNMXSFS-SCIASDOBSA-N

Compound name

methyl N-[(2R)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S,4R,7S,10S,16S,19S,20R,23R,26R,29S,32S,33R)-10,16-bis(2-amino-2-oxoethyl)-4-[(2R)-butan-2-yl]-23-[(2S)-butan-2-yl]-29-[2-(carbamoylamino)-2-oxoethyl]-33-hydroxy-7,14,20,26,32-pentamethyl-3,6,9,12,15,18,22,25,28,31,35-undecaoxo-21-oxa-2,5,8,11,14,17,24,27,30,34-decazabicyclo[31.3.0]hexatriacontan-19-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-methylamino]-1,4-dioxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Related CIDs

• CID 71588350