Cyclo(RADfK)
HIT212659334
sdf文件结构编辑类似物检索
HIT ID: HIT212659334
Cas No: 756500-23-9
分子式: C28H43N9O7
分子量: 617.708
常用名: Cyclo(RADfK)
氢键受体数 (HBA): 11
氢键供体数 (HBD): 10
LogP: -4.891647
IUPAC: 2-[(2S,5R,8S,11S,14S)-8-(4-aminobutyl)-5-benzyl-11-(3-carbamimidamidopropyl)-14-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
IUPAC: 2-[(2S,5R,8S,11S,14S)-8-(4-aminobutyl)-5-benzyl-11-(3-carbamimidamidopropyl)-14-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
SMILES: C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC1=O
SMILES: C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC1=O
InChI key: SMFHXHGBDFBWOX-BWUHRYBWSA-N
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