Name: Bleomycin B4
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218674854
Cas No:9060-11-1
常用名:Bleomycin B4
IUPAC:2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-{[4-({1-[(2-{4-[4-({4-[N-(4-carbamimidamidobutyl)carbamimidamido]butyl}carbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl}ethyl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-hydroxy-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
IUPAC:2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-{[4-({1-[(2-{4-[4-({4-[N-(4-carbamimidamidobutyl)carbamimidamido]butyl}carbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl}ethyl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-hydroxy-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
InChI key:XRKOAIXTCFOKJS-UHFFFAOYSA-N

分子式:C60H95N23O21S2
分子量:1538.68
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(N)=O)NCC(N)C(N)=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCCCN(CCCCNC(N)=N)C(N)=N
SMILES:CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(N)=O)NCC(N)C(N)=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCCCN(CCCCNC(N)=N)C(N)=N

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