HIT ID: HIT212670679
Cas No: 1427058-33-0
分子式: C28H37ClF3N3O3
分子量: 556.07
常用名: E6130
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 1.4415276
IUPAC: 2-[(3S,4R)-1-{[2-chloro-6-(trifluoromethyl)phenyl]methyl}-3-({1-[(cyclohex-1-en-1-yl)methyl]piperidin-4-yl}carbamoyl)-4-methylpyrrolidin-3-yl]acetic acid
IUPAC: 2-[(3S,4R)-1-{[2-chloro-6-(trifluoromethyl)phenyl]methyl}-3-({1-[(cyclohex-1-en-1-yl)methyl]piperidin-4-yl}carbamoyl)-4-methylpyrrolidin-3-yl]acetic acid
SMILES: C[C@H]1CN(Cc2c(Cl)cccc2C(F)(F)F)C[C@@]1(CC(O)=O)C(=O)NC1CCN(CC2=CCCCC2)CC1 |t:32|
SMILES: C[C@H]1CN(Cc2c(Cl)cccc2C(F)(F)F)C[C@@]1(CC(O)=O)C(=O)NC1CCN(CC2=CCCCC2)CC1 |t:32|
InChI key: JTJKDYLEMNXXER-UZTOHYMASA-N
