Name: L-Isoleucyldaunorubin HCl
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319768
Cas No:74853-77-3
常用名:L-Isoleucyldaunorubin HCl
别名:L-Isoleucyldaunorubin monohydrochloride
IUPAC:(2S,3S)-N-[(2S,3S,4S,6R)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide hydrochloride
IUPAC:(2S,3S)-N-[(2S,3S,4S,6R)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide hydrochloride
InChI key:GOCQMUGJQSYUHJ-NIQBATHVSA-N

分子式:C33H41ClN2O11
分子量:677.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(C)=O)O[C@@H](C)[C@H]1O
SMILES:Cl.CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(C)=O)O[C@@H](C)[C@H]1O

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