Arylomycin B5
HIT219251489
sdf文件结构编辑类似物检索
HIT ID: HIT219251489
Cas No: 459844-28-1
分子式: C43H61N7O13
分子量: 883.997
常用名: Arylomycin B5
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (11S)-14-{2-[(2R)-2-[(2R)-2-(N,11-dimethyldodecanamido)-3-hydroxypropanamido]propanamido]-N-methylacetamido}-3,18-dihydroxy-11-methyl-4-nitro-10,13-dioxo-9,12-diazatricyclo[13.3.1.1^{2,6}]icosa-1(19),2,4,6(20),15,17-hexaene-8-carboxylic acid
IUPAC: (11S)-14-{2-[(2R)-2-[(2R)-2-(N,11-dimethyldodecanamido)-3-hydroxypropanamido]propanamido]-N-methylacetamido}-3,18-dihydroxy-11-methyl-4-nitro-10,13-dioxo-9,12-diazatricyclo[13.3.1.1^{2,6}]icosa-1(19),2,4,6(20),15,17-hexaene-8-carboxylic acid
SMILES: CC(C)CCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1c2ccc(O)c(c2)-c2cc(CC(NC(=O)[C@H](C)NC1=O)C(O)=O)cc(c2O)N(=O)=O
SMILES: CC(C)CCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1c2ccc(O)c(c2)-c2cc(CC(NC(=O)[C@H](C)NC1=O)C(O)=O)cc(c2O)N(=O)=O
InChI key: YZFXUGJZTDPGPW-BTVCVBJKSA-N
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