(2r,3r,4s)-3-acetamido-2-[(1r,2r)-1-[5-[[(4s)-5-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(3s)-6-amino-2,6-dioxohexan-3-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2s)-2-[[(2s)-2-amino-5-(butylamino)-5-oxopentanoyl]amino]-5-(butylamino)-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentoxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula

C₈₁H₁₃₆N₂₆O₂₉

SMILES

CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)NCCCC)C(=O)N[C@@H](CCC(=O)NCCCCCO[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)NC(=N)N)NC(=O)C)[C@@H](CO)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)C)N

InChI

InChI=1S/C81H136N26O29/c1-5-7-34-93-64(120)31-12-42(82)70(123)98-51(21-32-65(121)94-35-8-6-2)78(131)106-52(22-33-66(122)95-36-10-9-11-37-135-68(54(111)39-108)69-67(96-41(4)110)53(107-81(91)92)38-55(136-69)80(133)134)79(132)105-50(20-30-63(90)119)77(130)104-49(19-29-62(89)118)76(129)103-48(18-28-61(88)117)75(128)102-47(17-27-60(87)116)74(127)101-46(16-26-59(86)115)73(126)100-45(15-25-58(85)114)72(125)99-44(14-24-57(84)113)71(124)97-43(40(3)109)13-23-56(83)112/h38,42-54,67-69,108,111H,5-37,39,82H2,1-4H3,(H2,83,112)(H2,84,113)(H2,85,114)(H2,86,115)(H2,87,116)(H2,88,117)(H2,89,118)(H2,90,119)(H,93,120)(H,94,121)(H,95,122)(H,96,110)(H,97,124)(H,98,123)(H,99,125)(H,100,126)(H,101,127)(H,102,128)(H,103,129)(H,104,130)(H,105,132)(H,106,131)(H,133,134)(H4,91,92,107)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54+,67+,68+,69+/m0/s1

InChIKey

KAUFOPTWAIDVIT-CHJNAUSVSA-N

Compound name

(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[5-[[(4S)-5-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(3S)-6-amino-2,6-dioxohexan-3-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-5-(butylamino)-5-oxopentanoyl]amino]-5-(butylamino)-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentoxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 16131540