Molecule ID: 441124

IUPAC Name: (2S,3R)-5-(diaminomethylideneamino)-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid

Description: The molecule is a member of guanidines, a L-arginine derivative, a beta-lactam, a monocarboxylic acid and a secondary alcohol. It derives from a proclavaminic acid. It is a tautomer of an amidinoproclavaminic acid zwitterion.

SMILES: N=C(N)NCC[C@@H](O)[C@@H](C(=O)O)N1CCC1=O

SELFIES: [N][=C][Branch1][C][N][N][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][C][Ring1][Ring2][=O]

InChI: InChI=1S/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5-,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -2.7