Name: SMP-96745
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887248
Cas No:2760408-63-5
常用名:SMP-96745
IUPAC:N-[3,5-bis({[({[(1S)-1-[({[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}methoxy)methyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)phenyl]-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamide
IUPAC:N-[3,5-bis({[({[(1S)-1-[({[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}methoxy)methyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)phenyl]-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamide
InChI key:QJFDPCYETIGIGU-GNALHQPXSA-N

分子式:C102H104F2N18O25
分子量:2020.052
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)COCNC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)c6cc(NC(=O)CCCCCN7C(=O)C=CC7=O)cc(c6)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc6ccccc6)C(=O)NCC(=O)NCOCC(=O)N[C@H]6CCc7c(C)c(F)cc8nc-9c(Cn%10c-9cc9c(COC(=O)[C@]9(O)CC)c%10=O)c6c78)c(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)COCNC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)c6cc(NC(=O)CCCCCN7C(=O)C=CC7=O)cc(c6)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc6ccccc6)C(=O)NCC(=O)NCOCC(=O)N[C@H]6CCc7c(C)c(F)cc8nc-9c(Cn%10c-9cc9c(COC(=O)[C@]9(O)CC)c%10=O)c6c78)c(c3Cn1c2=O)c45

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