(2S)-2-{[(2S)-4-(benzenesulfonyl)-1-methanesulfonylpiperazin-2-yl]formamido}-3-cyclohexylpropanamide
AlkaPlorer ID: AK051695
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-methylsulfonylpiperazine-2-carboxamide
Structure
SMILES: CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC=CC=C2)C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChI: InChI=1S/C21H32N4O6S2/c1-32(28,29)25-13-12-24(33(30,31)17-10-6-3-7-11-17)15-19(25)21(27)23-18(20(22)26)14-16-8-4-2-5-9-16/h3,6-7,10-11,16,18-19H,2,4-5,8-9,12-15H2,1H3,(H2,22,26)(H,23,27)/t18-,19-/m0/s1
InChIKey: ZGUQJPTYFODBEW-OALUTQOASA-N
Reference
New Sesquiterpene α-Methylene Lactones from the Egyptian Plant Jasonia candicans
PubChem CID: 11887596
SuperNatural Ⅲ: SN0469976-01
Source
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Properties Information
Molecule Weight: 500.6430000000004
TPSA？: 146.95000000000002
MolLogP？: 0.2616000000000019
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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