mauritine A

AlkaPlorer ID: AK009855

Synonym: 'Epimauritine A', 'epimauritine A'

IUPAC Name: (2S)-N-[(2S)-1-[(3S,7S,10S)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide

Structure

SMILES: CC(C)[C@H](N=C(O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2OC3=CC=C(C=CN=C(O)[C@H](CC4=CC=CC=C4)N=C(O)[C@H]21)C=C3

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InChI: InChI=1S/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/t21-,25-,26-,27-,28-/m0/s1

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InChIKey: OGCOHPMZUTVUAD-OZDPOCAXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ziziphus apetala Ziziphus Rhamnaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 575.7100000000003

TPSA: 130.55

MolLogP: 4.474700000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information