化学式

CAS号

IUPAC Name

甲基(2R,3R,4S)-3-乙酰氨基-2-[(S)-6-[[3-[6-[[(S)-[(2R,3R,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]hexylcarbamoyl]-5-[4-[3,5-双[6-[[(S)-[(2R,3R,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 methyl (2R,3R,4S)-3-acetamido-2-[(S)-6-[[3-[6-[[(S)-[(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]hexylcarbamoyl]-5-[4-[3,5-bis[6-[[(S)-[(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]hexylcarbamoyl]benzoyl]piperazine-1-carbonyl]benzoyl]amino]hexylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylate

InChI

InChI=1S/C106H146N26O42/c1-51(133)123-73-61(127-95(107)108)43-65(91(143)155-5)163-81(73)77(69-47-159-103(151)167-69)171-99(147)119-29-21-13-9-17-25-115-85(137)55-37-56(86(138)116-26-18-10-14-22-30-120-100(148)172-78(70-48-160-104(152)168-70)82-74(124-52(2)134)62(128-96(109)110)44-66(164-82)92(144)156-6)40-59(39-55)89(141)131-33-35-132(36-34-131)90(142)60-41-57(87(139)117-27-19-11-15-23-31-121-101(149)173-79(71-49-161-105(153)169-71)83-75(125-53(3)135)63(129-97(111)112)45-67(165-83)93(145)157-7)38-58(42-60)88(140)118-28-20-12-16-24-32-122-102(150)174-80(72-50-162-106(154)170-72)84-76(126-54(4)136)64(130-98(113)114)46-68(166-84)94(146)158-8/h37-46,61-64,69-84H,9-36,47-50H2,1-8H3,(H,115,137)(H,116,138)(H,117,139)(H,118,140)(H,119,147)(H,120,148)(H,121,149)(H,122,150)(H,123,133)(H,124,134)(H,125,135)(H,126,136)(H4,107,108,127)(H4,109,110,128)(H4,111,112,129)(H4,113,114,130)/t61-,62-,63-,64-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1

InChI Key

WVBREZCGDJNTKO-OYIHIKRBSA-N

Canonical SMILES

CC(=O)NC1C(C=C(OC1C(C2COC(=O)O2)OC(=O)NCCCCCCNC(=O)C3=CC(=CC(=C3)C(=O)N4CCN(CC4)C(=O)C5=CC(=CC(=C5)C(=O)NCCCCCCNC(=O)OC(C6COC(=O)O6)C7C(C(C=C(O7)C(=O)OC)NC(=N)N)NC(=O)C)C(=O)NCCCCCCNC(=O)OC(C8COC(=O)O8)C9C(C(C=C(O9)C(=O)OC)NC(=N)N)NC(=O)C)C(=O)NCCCCCCNC(=O)OC(C1COC(=O)O1)C1C(C(C=C(O1)C(=O)OC)NC(=N)N)NC(=O)C)C(=O)OC)NC(=N)N

别名

• SCHEMBL14526707