Name: LNK4-S
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219200888
Cas No:2845165-06-0
常用名:LNK4-S
IUPAC:2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[(2S)-2-[2-(2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]ethoxy}ethoxy)acetamido]-4-{[(2S)-2-{4-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]propanamido]phenyl}-2-({[(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}oxy)ethyl]carbamoyl}-N-methylbutanamido]-N-methylacetamido}-N-methylacetamido)-N-methylacetamido]-N-methylacetamido}-N-methylacetamido)-N-methylacetamido]-N-methylacetamido}-N-methylacetamido)-N-methylacetamido]acetic acid
IUPAC:2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[(2S)-2-[2-(2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]ethoxy}ethoxy)acetamido]-4-{[(2S)-2-{4-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]propanamido]phenyl}-2-({[(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}oxy)ethyl]carbamoyl}-N-methylbutanamido]-N-methylacetamido}-N-methylacetamido)-N-methylacetamido]-N-methylacetamido}-N-methylacetamido)-N-methylacetamido]-N-methylacetamido}-N-methylacetamido)-N-methylacetamido]acetic acid
InChI key:MZPPYJBLZLUJCU-AASQTGCKSA-N

分子式:C91H121FN20O28
分子量:1962.079
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)O[C@H](CNC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCN6C(=O)C=CC6=O)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(O)=O)c6ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc6)c(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)O[C@H](CNC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCN6C(=O)C=CC6=O)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(O)=O)c6ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc6)c(c3Cn1c2=O)c45

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