HIT ID: HIT214435119
Cas No: 2247061-09-0
分子式: C30H45N5O3S
分子量: 555.78
常用名: DI-1859
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(2S)-2-cyclohexyl-2-[(2S)-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-2-propanamidopropanamido]ethyl]-2-[(dimethylamino)methyl]prop-2-enamide
IUPAC: N-[(2S)-2-cyclohexyl-2-[(2S)-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-2-propanamidopropanamido]ethyl]-2-[(dimethylamino)methyl]prop-2-enamide
SMILES: CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(=C)CN(C)C)C1CCCCC1
SMILES: CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(=C)CN(C)C)C1CCCCC1
InChI key: HNIUOJXOXQUOMN-LOSJGSFVSA-N
