DMP 728
HIT212710446
sdf文件结构编辑类似物检索
HIT ID: HIT212710446
Cas No: 155158-97-7
分子式: C26H40N8O10S
分子量: 656.71
常用名: DMP 728
氢键受体数 (HBA): 10
氢键供体数 (HBD): 8
LogP: -4.367016
IUPAC: 2-[(5S,11S,14R)-11-(3-carbamimidamidopropyl)-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid; methanesulfonic acid
IUPAC: 2-[(5S,11S,14R)-11-(3-carbamimidamidopropyl)-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid; methanesulfonic acid
SMILES: CS(O)(=O)=O.CC[C@H]1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2
SMILES: CS(O)(=O)=O.CC[C@H]1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2
InChI key: CSRWGJAILKTYLJ-PWGAQZMISA-N
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