HIT ID: HIT212671113
Cas No: 1622262-55-8
分子式: C26H33N4O7P
分子量: 544.545
常用名: BRCA1-IN-2
氢键受体数 (HBA): 6
氢键供体数 (HBD): 6
LogP: 1.6610516
IUPAC: [(2S)-2-[3-(1H-indol-3-yl)propanamido]-2-({[(4-phenylbutyl)carbamoyl]methyl}carbamoyl)ethoxy]phosphonic acid
IUPAC: [(2S)-2-[3-(1H-indol-3-yl)propanamido]-2-({[(4-phenylbutyl)carbamoyl]methyl}carbamoyl)ethoxy]phosphonic acid
SMILES: OP(O)(=O)OC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)NCC(=O)NCCCCc1ccccc1
SMILES: OP(O)(=O)OC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)NCC(=O)NCCCCc1ccccc1
InChI key: TYEYIJQDNULZJQ-QHCPKHFHSA-N
