(2S)-2-azanyl-3-(1H-imidazol-2-yl)-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-2-yl)-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide Openeye Name: (2S)-2-amino-3-(1H-imidazol-2-yl)-N-[(1-tridecanoyl-2-piperidyl)methyl]propanamide CAS Name: (2S)-2-amino-3-(1H-imidazol-2-yl)-N-[[1-(1-oxotridecyl)-2-piperidinyl]methyl]propanamide IUPAC Name: (2S)-2-amino-3-(1H-imidazol-2-yl)-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide Traditional Name: (2S)-2-amino-3-(1H-imidazol-2-yl)-N-[(1-tridecanoyl-2-piperidyl)methyl]propionamide Formula: C25H45N5O2 MolecularWeight: 447.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CC2=NC=CN2)N

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](CC2=NC=CN2)N

InChI

InChI=1S/C25H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-15-24(31)30-18-13-12-14-21(30)20-29-25(32)22(26)19-23-27-16-17-28-23/h16-17,21-22H,2-15,18-20,26H2,1H3,(H,27,28)(H,29,32)/t21?,22-/m0/s1