Decatromicin B
HIT214322024
sdf文件结构编辑类似物检索
HIT ID: HIT214322024
Cas No: 235097-64-0
分子式: C45H56Cl2N2O10
分子量: 855.85
常用名: Decatromicin B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3S,6S,7Z,13R,16S,17S,18S,21R,22R)-17-{[(2R,4R,5S,6R)-5-(3,5-dichloro-1H-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-27-hydroxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
IUPAC: (1S,3S,6S,7Z,13R,16S,17S,18S,21R,22R)-17-{[(2R,4R,5S,6R)-5-(3,5-dichloro-1H-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-27-hydroxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
SMILES: [H][C@]12CC=CC\C(C)=C/[C@@]3(C)C=C([C@@H](CC)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]1(CC)[C@]1([H])CC[C@H](C)[C@H](O[C@H]3C[C@@H](O)[C@H](NC(=O)c4[nH]c(Cl)cc4Cl)[C@@H](C)O3)[C@@]1([H])C=C2)C(O)=O |c:7,11,22,63|
SMILES: [H][C@]12CC=CC\C(C)=C/[C@@]3(C)C=C([C@@H](CC)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]1(CC)[C@]1([H])CC[C@H](C)[C@H](O[C@H]3C[C@@H](O)[C@H](NC(=O)c4[nH]c(Cl)cc4Cl)[C@@H](C)O3)[C@@]1([H])C=C2)C(O)=O |c:7,11,22,63|
InChI key: OKYWSSBYCHUWKT-RILGONRKSA-N
共显示1个结果
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