(1S,2R,5R,6R,7S)-2-N-cyclohexyl-3-[3-(dimethylamino)propyl]-4-oxo-6-N-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK573175
Synonym: None
IUPAC Name: (1S,2R,5R,6R,7S)-2-N-cyclohexyl-3-[3-(dimethylamino)propyl]-4-oxo-6-N-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CN(C)CCCN1C(=O)[C@@H]2[C@@H](C(=O)NC3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1
InChI: InChI=1S/C33H40N4O5/c1-36(2)20-9-21-37-29(31(39)35-22-10-5-3-6-11-22)33-19-18-26(42-33)27(28(33)32(37)40)30(38)34-23-14-16-25(17-15-23)41-24-12-7-4-8-13-24/h4,7-8,12-19,22,26-29H,3,5-6,9-11,20-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28-,29-,33-/m0/s1
InChIKey: XQYMENYLYIIBMZ-WMCQFGFVSA-N
Reference
Bioactive 5α-Pregnane-Type Steroidal Alkaloids from <i>Sarcococca hookeriana</i>
PubChem CID: 98180812
Source
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Properties Information
Molecule Weight: 572.7059999999999
TPSA？: 100.21
MolLogP？: 3.968600000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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