Methyl n-[(2r)-1-[[(2s)-1-[[(2s)-4-amino-1-[[(2r,3r)-1-[[(2s)-1-[[(2s)-1-[[(2s)-4-amino-1-[[(1s,10s,16s,19s,20r,26r,29s,32z)-10,16-bis(2-amino-2-oxoethyl)-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

C₈₇H₁₃₆N₂₄O₂₇

SMILES

CC[C@H](C)C1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NC(C(=O)NCC(=O)N[C@H]\2CC(=O)N/C2=C(\C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C)CC(=O)NC(=O)N)/C)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(C)C)N(C)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OC)C

InChI

InChI=1S/C87H136N24O27/c1-22-42(9)65-85(134)138-47(14)67(78(127)100-54(33-59(90)114)79(128)106(15)38-64(119)97-50(31-57(88)112)74(123)94-45(12)72(121)93-37-63(118)96-49-34-61(116)102-66(49)44(11)71(120)98-52(35-62(117)103-86(92)135)75(124)95-46(13)73(122)104-65)105-76(125)51(32-58(89)113)99-77(126)55(29-39(3)4)107(16)82(131)69(41(7)8)110(19)84(133)70(43(10)23-2)111(20)81(130)56(36-60(91)115)108(17)83(132)68(40(5)6)109(18)80(129)53(101-87(136)137-21)30-48-27-25-24-26-28-48/h24-28,39-43,45-47,49-56,65,67-70H,22-23,29-38H2,1-21H3,(H2,88,112)(H2,89,113)(H2,90,114)(H2,91,115)(H,93,121)(H,94,123)(H,95,124)(H,96,118)(H,97,119)(H,98,120)(H,99,126)(H,100,127)(H,101,136)(H,102,116)(H,104,122)(H,105,125)(H3,92,103,117,135)/b66-44-/t42-,43+,45?,46+,47+,49-,50-,51-,52-,53+,54-,55-,56-,65?,67-,68-,69-,70+/m0/s1

InChIKey

LFSGUBMGIAJFJT-QWHWKEAPSA-N

Compound name

methyl N-[(2R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2R,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S,10S,16S,19S,20R,26R,29S,32Z)-10,16-bis(2-amino-2-oxoethyl)-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 176457168