DOTA-cyclo(RGDfK)
HIT219227679
sdf文件结构编辑类似物检索
HIT ID: HIT219227679
Cas No: 909024-55-1
分子式: C43H67N13O14
分子量: 990.086
常用名: DOTA-cyclo(RGDfK)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{4-[({4-[(2S,5S,11S,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]butyl}carbamoyl)methyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid
IUPAC: 2-{4-[({4-[(2S,5S,11S,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]butyl}carbamoyl)methyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid
SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
InChI key: JCMRWLZGXBWZRR-IHZBLBIESA-N
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