(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-(butylamino)-5-oxopentanoyl]amino]-5-(butylamino)-5-oxopentanoyl]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

C₉₃H₁₅₉N₂₉O₃₁

SMILES

CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)NCCCC)C(=O)N[C@@H](CCC(=O)NCCCC)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)N

InChI

InChI=1S/C93H159N29O31/c1-6-10-41-105-72(133)36-17-50(94)81(139)112-58(25-37-73(134)106-42-11-7-2)88(146)119-60(26-38-74(135)107-43-12-8-3)90(148)121-61(27-39-75(136)108-44-13-9-4)91(149)120-59(28-40-76(137)109-45-15-14-16-46-152-78(63(125)48-123)79-77(110-49(5)124)62(122-93(103)104)47-64(153-79)92(150)151)89(147)118-57(24-35-71(101)132)87(145)117-56(23-34-70(100)131)86(144)116-55(22-33-69(99)130)85(143)115-54(21-32-68(98)129)84(142)114-53(20-31-67(97)128)83(141)113-52(19-30-66(96)127)82(140)111-51(80(102)138)18-29-65(95)126/h47,50-63,77-79,123,125H,6-46,48,94H2,1-5H3,(H2,95,126)(H2,96,127)(H2,97,128)(H2,98,129)(H2,99,130)(H2,100,131)(H2,101,132)(H2,102,138)(H,105,133)(H,106,134)(H,107,135)(H,108,136)(H,109,137)(H,110,124)(H,111,140)(H,112,139)(H,113,141)(H,114,142)(H,115,143)(H,116,144)(H,117,145)(H,118,147)(H,119,146)(H,120,149)(H,121,148)(H,150,151)(H4,103,104,122)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,77+,78+,79+/m0/s1

InChIKey

SGIRDFMIEWDODN-XVKNYXJWSA-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-(butylamino)-5-oxopentanoyl]amino]-5-(butylamino)-5-oxopentanoyl]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 16131538