(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-oxo-5-(pentylamino)pentanoyl]amino]-5-oxo-5-(pentylamino)pentanoyl]amino]-5-oxopentanoyl]amino]pentoxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula

C₈₃H₁₄₀N₂₆O₂₉

SMILES

CCCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)NCCCCC)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/C83H140N26O29/c1-5-7-10-36-95-66(122)33-14-44(84)72(125)100-53(23-34-67(123)96-37-11-8-6-2)80(133)108-54(24-35-68(124)97-38-12-9-13-39-137-70(56(113)41-110)71-69(98-43(4)112)55(109-83(93)94)40-57(138-71)82(135)136)81(134)107-52(22-32-65(92)121)79(132)106-51(21-31-64(91)120)78(131)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)99-45(42(3)111)15-25-58(85)114/h40,44-56,69-71,110,113H,5-39,41,84H2,1-4H3,(H2,85,114)(H2,86,115)(H2,87,116)(H2,88,117)(H2,89,118)(H2,90,119)(H2,91,120)(H2,92,121)(H,95,122)(H,96,123)(H,97,124)(H,98,112)(H,99,126)(H,100,125)(H,101,127)(H,102,128)(H,103,129)(H,104,130)(H,105,131)(H,106,132)(H,107,134)(H,108,133)(H,135,136)(H4,93,94,109)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,69+,70+,71+/m0/s1

InChIKey

UNMYCXKODLVMGU-QHTRGEEXSA-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-oxo-5-(pentylamino)pentanoyl]amino]-5-oxo-5-(pentylamino)pentanoyl]amino]-5-oxopentanoyl]amino]pentoxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 16131539