Name: BMV109
Rating: 5 (10 reviews)

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HIT ID:HIT218847576
Cas No:1458731-58-2
常用名:BMV109
别名:BMV-109, BMV109, BMV 109
IUPAC:2-{5-[1-(5-{[(5S)-5-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido]-6-oxo-7-[2,3,5,6-tetrafluoro-4-({2-[(1-{2-[3-(5-sulfo-2,3-dihydro-1H-indol-1-yl)-6-(5-sulfonato-2,3-dihydro-1H-indol-1-yl)-10lambda4-xanthen-10-ylium-9-yl]benzenesulfonyl}piperidin-4-yl)formamido]ethyl}carbamoyl)phenoxy]heptyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC:2-{5-[1-(5-{[(5S)-5-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido]-6-oxo-7-[2,3,5,6-tetrafluoro-4-({2-[(1-{2-[3-(5-sulfo-2,3-dihydro-1H-indol-1-yl)-6-(5-sulfonato-2,3-dihydro-1H-indol-1-yl)-10lambda4-xanthen-10-ylium-9-yl]benzenesulfonyl}piperidin-4-yl)formamido]ethyl}carbamoyl)phenoxy]heptyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI key:KDFGXWUMTFTKSD-XYZCXLSZSA-N

分子式:C107H108F4N10O23S5
分子量:2138.38
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C(=O)COc3c(F)c(F)c(C(=O)NCCNC(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4-c4c5ccc(cc5[o+]c5cc(ccc45)N4CCc5cc(ccc45)S([O-])(=O)=O)N4CCc5cc(ccc45)S(O)(=O)=O)c(F)c3F)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C(=O)COc3c(F)c(F)c(C(=O)NCCNC(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4-c4c5ccc(cc5[o+]c5cc(ccc45)N4CCc5cc(ccc45)S([O-])(=O)=O)N4CCc5cc(ccc45)S(O)(=O)=O)c(F)c3F)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

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