TDK-HCPT
HIT219251681
sdf文件结构编辑类似物检索
HIT ID: HIT219251681
Cas No:
分子式: C42H53N3O9S4
分子量: 872.14
常用名: TDK-HCPT
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3Z)-4-(N-methylformamido)-3-[(2-methylpropyl)disulfanyl]pent-3-en-1-yl 4-({2-[(4-{[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy}-4-oxobutyl)sulfanyl]propan-2-yl}sulfanyl)butanoate
IUPAC: (3Z)-4-(N-methylformamido)-3-[(2-methylpropyl)disulfanyl]pent-3-en-1-yl 4-({2-[(4-{[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy}-4-oxobutyl)sulfanyl]propan-2-yl}sulfanyl)butanoate
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)CCCSC(C)(C)SCCCC(=O)OCC\C(SSCC(C)C)=C(/C)N(C)C=O)cc4cc3Cn1c2=O
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)CCCSC(C)(C)SCCCC(=O)OCC\C(SSCC(C)C)=C(/C)N(C)C=O)cc4cc3Cn1c2=O
InChI key: RFJJERPYRVTCOC-VCEJZEOESA-N
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