Name: 2,3-Indolobetulinic glycine amide
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214320725
Cas No:905838-14-4
常用名:2,3-Indolobetulinic glycine amide
常用名:2,3-Indolobetulinic glycine amide
IUPAC:2-{[(1R,2R,14R,17R,18R,21S,24R,25R,26R)-2,13,13,17,18-pentamethyl-24-(prop-1-en-2-yl)-11-azaheptacyclo[15.11.0.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{21,25}]octacosa-4(12),5,7,9-tetraen-21-yl]formamido}acetic acid
IUPAC:2-{[(1R,2R,14R,17R,18R,21S,24R,25R,26R)-2,13,13,17,18-pentamethyl-24-(prop-1-en-2-yl)-11-azaheptacyclo[15.11.0.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{21,25}]octacosa-4(12),5,7,9-tetraen-21-yl]formamido}acetic acid
InChI key:HVTXSOUPDUVALO-MJDVJXEKSA-N

分子式:C38H52N2O3
分子量:584.845
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)Cc4c([nH]c5ccccc45)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)=C
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)Cc4c([nH]c5ccccc45)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)=C

2,3-Indolobetulinic glycine amide is a pentacyclic triterpene and derivative of betulinic acid .1It has been used in the synthesis of betulinic acid derivatives with anticancer activity.

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