Name: L-Alanyl pradimicin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319680
Cas No:148763-59-1
常用名:L-Alanyl pradimicin A
IUPAC:2-{2-[(2,5,11,17-tetrahydroxy-10-{[3-hydroxy-6-methyl-5-(methylamino)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl)formamido]propanamido}propanoic acid
IUPAC:2-{2-[(2,5,11,17-tetrahydroxy-10-{[3-hydroxy-6-methyl-5-(methylamino)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl)formamido]propanamido}propanoic acid
InChI key:SZUMKGXXHSNVTC-UHFFFAOYSA-N

分子式:C43H49N3O19
分子量:911.867
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC1C(C)OC(OC2C(O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NC(C)C(=O)NC(C)C(O)=O)c(C)cc23)C(O)C1OC1OCC(O)C(O)C1O
SMILES:CNC1C(C)OC(OC2C(O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NC(C)C(=O)NC(C)C(O)=O)c(C)cc23)C(O)C1OC1OCC(O)C(O)C1O

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