Name: Phleomycin E
Rating: 5 (10 reviews)

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HIT ID:HIT219600183
Cas No:11031-13-3
常用名:Phleomycin E
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]-4,5-dihydro-1,3-thiazol-2-yl}ethyl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-hydroxy-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-5-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]-4,5-dihydro-1,3-thiazol-2-yl}ethyl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-hydroxy-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-5-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
InChI key:NVEXEWYGCXIGOY-UHFFFAOYSA-N

分子式:C60H97N23O21S2
分子量:1540.7
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)c1cnc[nH]1)C(=O)NCCC1=NC(CS1)c1nc(cs1)C(=O)NCCCCNC(=N)NCCCCNC(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)c1cnc[nH]1)C(=O)NCCC1=NC(CS1)c1nc(cs1)C(=O)NCCCCNC(=N)NCCCCNC(N)=N

Phleomycin E 是一种杂肽类抗生素，具备抗革兰氏阳性菌、阴性菌及分枝杆菌的活性。它能延长移植有埃尔曼腹水癌的小鼠的生存时间，对小鼠肺实体癌表现出抑制效果，IC50为 0.31 μg/mL。

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