HIT ID: HIT212875783
Cas No: 174630-04-7
分子式: C34H47N3O9
分子量: 641.762
常用名: Reversin 121
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.835986
IUPAC: tert-butyl (2S)-2-[(2S)-4-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanamido]-6-{[(benzyloxy)carbonyl]amino}hexanoate
IUPAC: tert-butyl (2S)-2-[(2S)-4-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanamido]-6-{[(benzyloxy)carbonyl]amino}hexanoate
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
InChI key: SVNKEDMVAQBLLN-SVBPBHIXSA-N
