Name: DL-01 formic
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218849247
Cas No:2964513-44-6
常用名:DL-01 formic
别名:DL-01 甲酸
IUPAC:N-[(1S)-1-{[(1S)-5-(dipropylamino)-1-({[({3-[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,21}]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]propoxy}methyl)carbamoyl]methyl}carbamoyl)pentyl]carbamoyl}-2-methylpropyl]-6-(2-methanesulfonylpyrimidin-5-yl)hex-5-ynamide; formic acid
IUPAC:N-[(1S)-1-{[(1S)-5-(dipropylamino)-1-({[({3-[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,21}]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]propoxy}methyl)carbamoyl]methyl}carbamoyl)pentyl]carbamoyl}-2-methylpropyl]-6-(2-methanesulfonylpyrimidin-5-yl)hex-5-ynamide; formic acid
InChI key:ZMBPWERFMPCLPF-UNTITNOJSA-N

分子式:C56H73N9O15S
分子量:1144.31
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC=O.CCCN(CCC)CCCC[C@H](NC(=O)[C@@H](NC(=O)CCCC#Cc1cnc(nc1)S(C)(=O)=O)C(C)C)C(=O)NCC(=O)NCOCCCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cc3OCOc3cc12
SMILES:OC=O.CCCN(CCC)CCCC[C@H](NC(=O)[C@@H](NC(=O)CCCC#Cc1cnc(nc1)S(C)(=O)=O)C(C)C)C(=O)NCC(=O)NCOCCCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cc3OCOc3cc12

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