[(2S,5R,8R,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-8-(sulfanylmethyl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid; trifluoroacetic acid, Cyclo(RGDfC) TFA, Cyclo(RGDfC) 三氟乙酸盐
HIT218672598
sdf文件结构编辑类似物检索
HIT ID: HIT218672598
Cas No:
分子式: C26H35F3N8O9S
分子量: 692.67
常用名: [(2S,5R,8R,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-8-(sulfanylmethyl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid; trifluoroacetic acid, Cyclo(RGDfC) TFA, Cyclo(RGDfC) 三氟乙酸盐
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(2S,5R,8R,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-8-(sulfanylmethyl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
InChI key: CXHGNOQJFDRALD-ZSXFUQLHSA-N
共显示2个结果
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TargetMol
SC
2181-3天98.59% 购物车
Mcule
SC
9614-5周 购物车
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