Methyl n-[(2r)-1-[[(2s)-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,32z)-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-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]hexatriacont-32-en-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-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Structural Information

Molecular Formula

C₉₁H₁₄₄N₂₄O₂₇

SMILES

CC[C@@H](C)[C@@H]1C(=O)N[C@H]\2CC(=O)N/C2=C(\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(C)C)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

InChI

InChI=1S/C91H144N24O27/c1-24-44(10)67-81(130)100-52-37-64(120)105-69(52)47(13)74(123)101-55(38-65(121)106-90(96)139)78(127)98-49(15)76(125)108-68(45(11)25-2)89(138)142-50(16)70(82(131)103-57(36-62(94)118)83(132)110(17)40-66(122)99-53(34-60(92)116)77(126)97-48(14)75(124)107-67)109-79(128)54(35-61(93)117)102-80(129)58(32-41(4)5)111(18)86(135)72(43(8)9)114(21)88(137)73(46(12)26-3)115(22)85(134)59(39-63(95)119)112(19)87(136)71(42(6)7)113(20)84(133)56(104-91(140)141-23)33-51-30-28-27-29-31-51/h27-31,41-46,48-50,52-59,67-68,70-73H,24-26,32-40H2,1-23H3,(H2,92,116)(H2,93,117)(H2,94,118)(H2,95,119)(H,97,126)(H,98,127)(H,99,122)(H,100,130)(H,101,123)(H,102,129)(H,103,131)(H,104,140)(H,105,120)(H,107,124)(H,108,125)(H,109,128)(H3,96,106,121,139)/b69-47-/t44-,45+,46-,48+,49-,50-,52+,53+,54+,55+,56-,57+,58+,59+,67-,68-,70+,71+,72+,73?/m1/s1

InChIKey

KGENJNUCEPEZSU-BFSDSWLMSA-N

Compound name

methyl N-[(2R)-1-[[(2S)-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,32Z)-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-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]hexatriacont-32-en-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-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Related CIDs

• CID 71588348