c(phg-isoDGR-(NMe)k)
HIT212666973
sdf文件结构编辑类似物检索
HIT ID: HIT212666973
Cas No: 1844830-65-4
分子式: C27H41N9O7
分子量: 603.681
常用名: c(phg-isoDGR-(NMe)k)
氢键受体数 (HBA): 11
氢键供体数 (HBD): 9
LogP: -5.5136333
IUPAC: (5S,8R,11R,14S)-8-(4-aminobutyl)-5-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,16-pentaoxo-11-phenyl-1,4,7,10,13-pentaazacyclohexadecane-14-carboxylic acid
IUPAC: (5S,8R,11R,14S)-8-(4-aminobutyl)-5-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,16-pentaoxo-11-phenyl-1,4,7,10,13-pentaazacyclohexadecane-14-carboxylic acid
SMILES: CN1[C@H](CCCCN)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H](CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C1=O)C(O)=O
SMILES: CN1[C@H](CCCCN)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H](CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C1=O)C(O)=O
InChI key: PMBSPGRUJJJNPQ-PSHVLCQKSA-N
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