Natalenamide A

AlkaPlorer ID: AK117346

Synonym: None

IUPAC Name: 3-[(2S,5S,8S)-5-benzyl-3,6,9-trioxo-8-propan-2-yl-1,4,7-triazonan-2-yl]propanoic acid

Structure

SMILES: CC(C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CCC(=O)O)N=C1O

copy

InChI: InChI=1S/C19H25N3O5/c1-11(2)16-19(27)20-13(8-9-15(23)24)17(25)21-14(18(26)22-16)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,20,27)(H,21,25)(H,22,26)(H,23,24)/t13-,14-,16-/m0/s1

copy

InChIKey: CTCHFPZQWNZVNJ-DZKIICNBSA-N

copy

Properties Information

Molecule Weight: 375.4250000000002

TPSA: 135.07

MolLogP: 2.7388000000000003

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information