Molecule ID: 56927764

IUPAC Name: (2S)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-N-butylpropanamide

Description: The molecule is an amino acid amide that is a carboxamide obtained by formal condensation between N-butyl-L-alaninamide and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid. It is an oxime O-ether, a member of 1,3-thiazoles, an amino acid amide and a L-alanine derivative.

SMILES: CCCCN=C(O)[C@H](C)N=C(O)/C(=N\OC)c1csc(=N)[nH]1

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][=C][Branch1][C][O][/C][=Branch1][Ring2][=N][\O][C][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1]

InChI: InChI=1S/C13H21N5O3S/c1-4-5-6-15-11(19)8(2)16-12(20)10(18-21-3)9-7-22-13(14)17-9/h7-8H,4-6H2,1-3H3,(H2,14,17)(H,15,19)(H,16,20)/b18-10-/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 1.7