(8S,9aS)-8-[cyclohexylmethyl(methyl)amino]-1'-(pyridin-3-ylmethyl)spiro[2,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-3,4'-piperidine]-1,5-dione
AlkaPlorer ID: AK589188
Synonym: None
IUPAC Name: (8S,9aS)-8-[cyclohexylmethyl(methyl)amino]-1'-(pyridin-3-ylmethyl)spiro[2,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-3,4'-piperidine]-1,5-dione
Structure
SMILES: CN(CC1CCCCC1)[C@H]1C[C@H]2C(=O)NC3(CCN(CC4=CC=CN=C4)CC3)CC(=O)N2C1
InChI: InChI=1S/C26H39N5O2/c1-29(17-20-6-3-2-4-7-20)22-14-23-25(33)28-26(15-24(32)31(23)19-22)9-12-30(13-10-26)18-21-8-5-11-27-16-21/h5,8,11,16,20,22-23H,2-4,6-7,9-10,12-15,17-19H2,1H3,(H,28,33)/t22-,23-/m0/s1
InChIKey: ZCQODYPLNMGEGK-GOTSBHOMSA-N
Reference
Phaeosphaerins A–F, Cytotoxic Perylenequinones from an Endolichenic Fungus,<i>Phaeosphaeria</i>sp.
PubChem CID: 155979168
Source
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Properties Information
Molecule Weight: 453.6310000000003
TPSA？: 68.78
MolLogP？: 2.417700000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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