Name: SG3199-Val-Ala-PAB
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214983221
Cas No:1595275-61-8
常用名:SG3199-Val-Ala-PAB
IUPAC:{4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]phenyl}methyl (7S,8S)-8-hydroxy-13-methoxy-12-[(5-{[(7S)-13-methoxy-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}pentyl)oxy]-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,10,12-tetraene-9-carboxylate
IUPAC:{4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]phenyl}methyl (7S,8S)-8-hydroxy-13-methoxy-12-[(5-{[(7S)-13-methoxy-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}pentyl)oxy]-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,10,12-tetraene-9-carboxylate
InChI key:UTSDPVVCKWJDSI-XSNNZHSXSA-N

分子式:C49H59N7O11
分子量:922.049
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc3cc4N([C@@H](O)[C@]5([H])CC(C)=CN5C(=O)c4cc3OC)C(=O)OCc3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)cc3)cc1N=C2
SMILES:[H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc3cc4N([C@@H](O)[C@]5([H])CC(C)=CN5C(=O)c4cc3OC)C(=O)OCc3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)cc3)cc1N=C2

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