HIT ID: HIT218832704

Cas No:

分子式: C61H58FN9O12

分子量: 1128.184

常用名: 4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[({[(1-{[({[({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]-4-oxobutanamide, DIBAC-GGFG-NH2CH2-Dxd

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[({[(1-{[({[({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]-4-oxobutanamide

SMILES: CCC1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CCC(NC(=O)COCNC(=O)CNC(=O)C(Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc67)c(c3Cn1c2=O)c45

InChI key: HXQAFVZJVFQLRZ-UHFFFAOYSA-N