化学式

CAS号

IUPAC Name

2-[[2-[6-[[[(2S,3S,4S)-3-乙酰氨基-4-carbamimidamido-6-甲氧基羰基-3,4-二氢-2H-吡喃-2-基]-[(4R)-2-氧代-1,3-二氧杂烷-4-基]甲氧基]carbonylamino]己基氨基]-2-氧代乙基]-[2-[[2-[6-[[[(2S,3S,4S)-3-乙酰氨基-4-carbamimidamido-6-甲氧基羰基-3,4-二氢-2H-吡喃-2-基]-[(4R)-2-氧代-1,3-二氧杂烷-4-基]甲氧基]carbonylamino]己基氨基]-2- 2-[[2-[6-[[[(2S,3S,4S)-3-acetamido-4-carbamimidamido-6-methoxycarbonyl-3,4-dihydro-2H-pyran-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[[2-[6-[[[(2S,3S,4S)-3-acetamido-4-carbamimidamido-6-methoxycarbonyl-3,4-dihydro-2H-pyran-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(R)-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-methoxycarbonyl-3,4-dihydro-2H-pyran-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid

InChI

InChI=1S/C73H112N20O32/c1-37(94)86-53-40(89-65(74)75)27-43(62(102)111-4)117-59(53)56(46-34-114-71(108)120-46)123-68(105)83-22-16-10-7-13-19-80-49(97)30-92(31-50(98)81-20-14-8-11-17-23-84-69(106)124-57(47-35-115-72(109)121-47)60-54(87-38(2)95)41(90-66(76)77)28-44(118-60)63(103)112-5)25-26-93(33-52(100)101)32-51(99)82-21-15-9-12-18-24-85-70(107)125-58(48-36-116-73(110)122-48)61-55(88-39(3)96)42(91-67(78)79)29-45(119-61)64(104)113-6/h27-29,40-42,46-48,53-61H,7-26,30-36H2,1-6H3,(H,80,97)(H,81,98)(H,82,99)(H,83,105)(H,84,106)(H,85,107)(H,86,94)(H,87,95)(H,88,96)(H,100,101)(H4,74,75,89)(H4,76,77,90)(H4,78,79,91)/t40-,41-,42-,46+,47+,48+,53-,54+,55-,56?,57-,58?,59-,60+,61-/m0/s1

InChI Key

MRAZYZZZRWGZNK-JRLKNTHQSA-N

Canonical SMILES

CC(=O)NC1C(C=C(OC1C(C2COC(=O)O2)OC(=O)NCCCCCCNC(=O)CN(CCN(CC(=O)NCCCCCCNC(=O)OC(C3COC(=O)O3)C4C(C(C=C(O4)C(=O)OC)NC(=N)N)NC(=O)C)CC(=O)O)CC(=O)NCCCCCCNC(=O)OC(C5COC(=O)O5)C6C(C(C=C(O6)C(=O)OC)NC(=N)N)NC(=O)C)C(=O)OC)NC(=N)N

别名

• SCHEMBL5632072