19-amino-12-oxa-8-azahexacyclo[8.8.3.2?,¹¹.0¹,?.0²,?.0¹?,²¹]tricosa-2,4,6,14-tetraen-23-one

AlkaPlorer ID: AK318635

Synonym: None

IUPAC Name: (1R,9S,19S,21R,22R,23S)-19-amino-8-oxa-12-azahexacyclo[10.6.5.01,23.05,21.09,22.013,18]tricosa-5,13,15,17-tetraen-11-one

Structure

SMILES: N[C@H]1C[C@H]2C3=CCO[C@H]4CC(=O)N5C6=CC=CC=C6[C@@]1(CCC3)[C@@H]5[C@H]42

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InChI: InChI=1S/C21H24N2O2/c22-17-10-13-12-4-3-8-21(17)14-5-1-2-6-15(14)23-18(24)11-16(25-9-7-12)19(13)20(21)23/h1-2,5-7,13,16-17,19-20H,3-4,8-11,22H2/t13-,16-,17-,19-,20-,21+/m0/s1

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InChIKey: MEKVEXUSONMODA-FVWCLLPLSA-N

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Reference

NPASS: NPC147754

Properties Information

Molecule Weight: 336.4350000000002

TPSA: 55.56

MolLogP: 2.5158000000000005

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information