化学式

CAS号

IUPAC Name

二苯甲基(2R,3R,4R)-2-[(S)-7-[[2-[[2-[6-[[(S)-[(2R,3R,4R)-6-benzhydryloxycarbonyl-4-[[(E)-N,N'-双[(2-甲基-2-基)oxycarbonyl]甲脒基]氨基]-3-甲基-3,4-二氢-2H-吡喃-2-基]-(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-[[(S)-[(2R,3R,4R)-6-benzhydryloxycarbonyl-4-[[N,N benzhydryl (2R,3R,4R)-2-[(S)-7-[[2-[[2-[6-[[(S)-[(2R,3R,4R)-6-benzhydryloxycarbonyl-4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-methyl-3,4-dihydro-2H-pyran-2-yl]-(2-oxo-1,3-dioxolan-4-yl)methoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[[2-[6-[[(S)-[(2R,3R,4R)-6-benzhydryloxycarbonyl-4-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-methyl-3,4-dihydro-2H-pyran-2-yl]-(2-oxo-1,3-dioxolan-4-yl)methoxy]carbonylamino]hexylamino]-2-oxoethyl]-[2-[6-[[(S)-[(2R,3R,4R)-6-benzhydryloxycarbonyl-4-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-methyl-3,4-dihydro-2H-pyran-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]ethyl]amino]acetyl]amino]heptylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-4-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate

InChI

InChI=1S/C179H238N22O52/c1-108-120(188-152(192-160(214)246-172(5,6)7)193-161(215)247-173(8,9)10)96-124(148(206)238-140(112-70-46-38-47-71-112)113-72-48-39-49-73-113)230-136(108)144(128-104-226-168(222)234-128)242-156(210)184-90-66-31-29-30-62-86-180-132(202)100-200(101-133(203)181-87-63-32-35-67-91-185-157(211)243-145(129-105-227-169(223)235-129)137-109(2)121(189-153(194-162(216)248-174(11,12)13)195-163(217)249-175(14,15)16)97-125(231-137)149(207)239-141(114-74-50-40-51-75-114)115-76-52-41-53-77-115)94-95-201(102-134(204)182-88-64-33-36-68-92-186-158(212)244-146(130-106-228-170(224)236-130)138-110(3)122(190-154(196-164(218)250-176(17,18)19)197-165(219)251-177(20,21)22)98-126(232-138)150(208)240-142(116-78-54-42-55-79-116)117-80-56-43-57-81-117)103-135(205)183-89-65-34-37-69-93-187-159(213)245-147(131-107-229-171(225)237-131)139-111(4)123(191-155(198-166(220)252-178(23,24)25)199-167(221)253-179(26,27)28)99-127(233-139)151(209)241-143(118-82-58-44-59-83-118)119-84-60-45-61-85-119/h38-61,70-85,96-99,108-111,120-123,128-131,136-147H,29-37,62-69,86-95,100-107H2,1-28H3,(H,180,202)(H,181,203)(H,182,204)(H,183,205)(H,184,210)(H,185,211)(H,186,212)(H,187,213)(H2,188,192,193,214,215)(H2,189,194,195,216,217)(H2,190,196,197,218,219)(H2,191,198,199,220,221)/t108-,109-,110-,111-,120+,121+,122+,123+,128-,129?,130-,131?,136-,137-,138-,139-,144-,145-,146-,147-/m1/s1

InChI Key

ALRFBFUTHIXRLI-DEBBQXKUSA-N

Canonical SMILES

CC1C(C=C(OC1C(C2COC(=O)O2)OC(=O)NCCCCCCCNC(=O)CN(CCN(CC(=O)NCCCCCCNC(=O)OC(C3COC(=O)O3)C4C(C(C=C(O4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)CC(=O)NCCCCCCNC(=O)OC(C7COC(=O)O7)C8C(C(C=C(O8)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)CC(=O)NCCCCCCNC(=O)OC(C1COC(=O)O1)C1C(C(C=C(O1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

别名

• SCHEMBL14526697