(1S,2R,5S,6S,7R)-3-[2-[butyl(methyl)amino]ethyl]-2-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK333706
Synonym: None
IUPAC Name: (1S,2R,5S,6S,7R)-3-[2-[butyl(methyl)amino]ethyl]-2-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)NC3=CC=C(C(C)C)C=C3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChI: InChI=1S/C34H50N4O4/c1-7-8-18-37(6)19-20-38-30(32(40)36-26-11-9-10-22(4)23(26)5)34-17-16-27(42-34)28(29(34)33(38)41)31(39)35-25-14-12-24(13-15-25)21(2)3/h12-17,21-23,26-30H,7-11,18-20H2,1-6H3,(H,35,39)(H,36,40)/t22-,23-,26-,27-,28-,29-,30+,34+/m1/s1
InChIKey: AMKHQRQMVDELJQ-YDSVMRRDSA-N
Reference
Cytotoxic and PTP1B inhibitory activities from Erythrina abyssinica
PubChem CID: 129434984
Source
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Properties Information
Molecule Weight: 578.7980000000002
TPSA？: 90.98000000000002
MolLogP？: 4.571900000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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