(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]propanoic acid hydrate

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]propanoic acid hydrate Openeye Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propanoic acid hydrate CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]propanoic acid hydrate IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoic acid hydrate Traditional Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propionic acid hydrate Formula: C9H20N2O4 MolecularWeight: 220.2661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)O)N.O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N.O

InChI

InChI=1S/C9H18N2O3.H2O/c1-5(2)4-7(10)8(12)11-6(3)9(13)14;/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14);1H2/t6-,7-;/m0./s1