Name: Phleomycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840450
Cas No:11006-33-0
常用名:Phleomycin
别名:腐草霉素
IUPAC:2-{2-[2-(2-{5-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamimidoylethyl}pyrimidin-4-yl)formamido]-6-{[(2S,3R,4R,5S,6S)-2-{[(3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy}-3-hydroxy-6-(1H-imidazol-4-yl)-2-methyl-4-oxohexanamido}-3-oxobutanamido)ethyl]-4,5-dihydro-1,3-thiazol-4-yl}-1,3-thiazole-4-carboxamide
IUPAC:2-{2-[2-(2-{5-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamimidoylethyl}pyrimidin-4-yl)formamido]-6-{[(2S,3R,4R,5S,6S)-2-{[(3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy}-3-hydroxy-6-(1H-imidazol-4-yl)-2-methyl-4-oxohexanamido}-3-oxobutanamido)ethyl]-4,5-dihydro-1,3-thiazol-4-yl}-1,3-thiazole-4-carboxamide
InChI key:FRNUBKWKVKYEBR-UQEIFTFCSA-N

分子式:C48H69N17O20S2
分子量:1268.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C(O)C(=O)C(NC(=O)c1cc(N)nc(n1)C(CC(N)=N)NCC(N)C(N)=O)C(O[C@]1(OC2OC(CO)[C@H](O)[C@@](O)([C@H]2O)C(N)=O)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1C)c1c[nH]cn1)C(=O)NC(C(C)=O)C(=O)NCCC1=NC(CS1)c1nc(cs1)C(N)=O
SMILES:CC(C(O)C(=O)C(NC(=O)c1cc(N)nc(n1)C(CC(N)=N)NCC(N)C(N)=O)C(O[C@]1(OC2OC(CO)[C@H](O)[C@@](O)([C@H]2O)C(N)=O)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1C)c1c[nH]cn1)C(=O)NC(C(C)=O)C(=O)NCCC1=NC(CS1)c1nc(cs1)C(N)=O

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