HIT ID: HIT218909572
Cas No: 1924677-40-6
分子式: C23H40N4O5
分子量: 452.596
常用名: Propargyl-NOTA(tBu)2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tert-butyl 2-{4-[2-(tert-butoxy)-2-oxoethyl]-7-{[(prop-2-yn-1-yl)carbamoyl]methyl}-1,4,7-triazonan-1-yl}acetate
IUPAC: tert-butyl 2-{4-[2-(tert-butoxy)-2-oxoethyl]-7-{[(prop-2-yn-1-yl)carbamoyl]methyl}-1,4,7-triazonan-1-yl}acetate
SMILES: CC(C)(C)OC(=O)CN1CCN(CC(=O)NCC#C)CCN(CC(=O)OC(C)(C)C)CC1
SMILES: CC(C)(C)OC(=O)CN1CCN(CC(=O)NCC#C)CCN(CC(=O)OC(C)(C)C)CC1
InChI key: RFGGHBUBAXUQKD-UHFFFAOYSA-N