Methyl n-[(2r)-1-[[(2s,3r)-1-[[(2s)-4-amino-1-[[(2r,3r)-1-[[(2s)-1-[[(2s)-1-[[(2s)-4-amino-1-[[(1s,4r,7s,10s,16s,19s,20r,26r,29s,32s,33s)-10,16-bis(2-amino-2-oxoethyl)-4-[(2r)-butan-2-yl]-23-[(2s)-butan-2-yl]-29-[2-(carbamoylamino)-2-oxoethyl]-7,14,20,26,32,33-hexamethyl-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

C₉₃H₁₅₀N₂₄O₂₇

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)NC(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@@H]([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)C

InChI

InChI=1S/C93H150N24O27/c1-25-45(9)69-82(132)106-61-41-67(123)111-93(61,17)49(13)75(125)102-56(39-66(122)107-91(98)141)79(129)100-51(15)77(127)109-70(46(10)26-2)90(140)144-52(16)71(83(133)104-58(38-64(96)120)84(134)112(18)42-68(124)101-54(36-62(94)118)78(128)99-50(14)76(126)108-69)110-80(130)55(37-63(95)119)103-81(131)59(34-43(5)6)113(19)87(137)72(44(7)8)115(21)89(139)74(48(12)28-4)117(23)86(136)60(40-65(97)121)114(20)88(138)73(47(11)27-3)116(22)85(135)57(105-92(142)143-24)35-53-32-30-29-31-33-53/h29-33,43-52,54-61,69-74H,25-28,34-42H2,1-24H3,(H2,94,118)(H2,95,119)(H2,96,120)(H2,97,121)(H,99,128)(H,100,129)(H,101,124)(H,102,125)(H,103,131)(H,104,133)(H,105,142)(H,106,132)(H,108,126)(H,109,127)(H,110,130)(H,111,123)(H3,98,107,122,141)/t45-,46+,47-,48-,49-,50+,51-,52-,54+,55+,56+,57-,58+,59+,60+,61+,69-,70?,71+,72+,73+,74-,93+/m1/s1

InChIKey

OUNGDZYFVNWVSH-SQTNUPGVSA-N

Compound name

methyl N-[(2R)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S,4R,7S,10S,16S,19S,20R,26R,29S,32S,33S)-10,16-bis(2-amino-2-oxoethyl)-4-[(2R)-butan-2-yl]-23-[(2S)-butan-2-yl]-29-[2-(carbamoylamino)-2-oxoethyl]-7,14,20,26,32,33-hexamethyl-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 176457392