Name: SC239
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583168
Cas No:1977557-97-3
常用名:SC239
IUPAC:(2E,4S)-4-[(2S)-2-[(2S)-3-(3-{[({4-[(2S)-2-[(2S)-2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methoxy)carbonyl]amino}phenyl)-3-methyl-2-(methylamino)butanamido]-N,3,3-trimethylbutanamido]-2,5-dimethylhex-2-enoic acid
IUPAC:(2E,4S)-4-[(2S)-2-[(2S)-3-(3-{[({4-[(2S)-2-[(2S)-2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methoxy)carbonyl]amino}phenyl)-3-methyl-2-(methylamino)butanamido]-N,3,3-trimethylbutanamido]-2,5-dimethylhex-2-enoic acid
InChI key:ZMSFFQZNTRZZJB-QUAMOIMISA-N

分子式:C65H84N10O11
分子量:1181.446
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(NC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCC(=O)N3Cc4ccccc4C#Cc4ccccc34)C(C)C)cc2)c1
SMILES:CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(NC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCC(=O)N3Cc4ccccc4C#Cc4ccccc34)C(C)C)cc2)c1

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