(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)-1,5-diamino-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-[[(2s)-2-[[(2s)-2-amino-5-oxo-5-(pentylamino)pentanoyl]amino]-5-oxo-5-(pentylamino)pentanoyl]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

C₉₇H₁₆₇N₂₉O₃₁

SMILES

CCCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)NCCCCC)C(=O)N[C@@H](CCC(=O)NCCCCC)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)N

InChI

InChI=1S/C97H167N29O31/c1-6-10-15-45-109-76(137)40-21-54(98)85(143)116-62(29-41-77(138)110-46-16-11-7-2)92(150)123-64(30-42-78(139)111-47-17-12-8-3)94(152)125-65(31-43-79(140)112-48-18-13-9-4)95(153)124-63(32-44-80(141)113-49-19-14-20-50-156-82(67(129)52-127)83-81(114-53(5)128)66(126-97(107)108)51-68(157-83)96(154)155)93(151)122-61(28-39-75(105)136)91(149)121-60(27-38-74(104)135)90(148)120-59(26-37-73(103)134)89(147)119-58(25-36-72(102)133)88(146)118-57(24-35-71(101)132)87(145)117-56(23-34-70(100)131)86(144)115-55(84(106)142)22-33-69(99)130/h51,54-67,81-83,127,129H,6-50,52,98H2,1-5H3,(H2,99,130)(H2,100,131)(H2,101,132)(H2,102,133)(H2,103,134)(H2,104,135)(H2,105,136)(H2,106,142)(H,109,137)(H,110,138)(H,111,139)(H,112,140)(H,113,141)(H,114,128)(H,115,144)(H,116,143)(H,117,145)(H,118,146)(H,119,147)(H,120,148)(H,121,149)(H,122,151)(H,123,150)(H,124,153)(H,125,152)(H,154,155)(H4,107,108,126)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,81+,82+,83+/m0/s1

InChIKey

JOKUFUZJVKWWDH-WNMIAEEDSA-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)-1,5-diamino-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-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(pentylamino)pentanoyl]amino]-5-oxo-5-(pentylamino)pentanoyl]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 16131537