Name: tert-butyl 2-[(9S)-7-[4-(3-aminoprop-1-yn-1-yl)phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
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结构编辑

类似物检索

HIT ID:HIT219467974
Cas No:2413382-30-4
常用名:tert-butyl 2-[(9S)-7-[4-(3-aminoprop-1-yn-1-yl)phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
常用名:tert-butyl 2-[(9S)-7-[4-(3-aminoprop-1-yn-1-yl)phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
IUPAC:tert-butyl 2-[(9S)-7-[4-(3-aminoprop-1-yn-1-yl)phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
IUPAC:tert-butyl 2-[(9S)-7-[4-(3-aminoprop-1-yn-1-yl)phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
InChI key:PMSPBUOYDPYDPF-FQEVSTJZSA-N

分子式:C26H29N5O2S
分子量:475.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(cc1)C#CCN
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(cc1)C#CCN

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