(2R)-2-[[(2R)-2-azanylpropanoyl]amino]-4-methyl-pentanoic acid hydrate

Systemtic Name: (2R)-2-[[(2R)-2-azanylpropanoyl]amino]-4-methyl-pentanoic acid hydrate Openeye Name: (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methyl-pentanoic acid hydrate CAS Name: (2R)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-methylpentanoic acid hydrate IUPAC Name: (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid hydrate Traditional Name: (2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methyl-valeric acid hydrate Formula: C9H20N2O4 MolecularWeight: 220.2661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O3.H2O/c1-5(2)4-7(9(13)14)11-8(12)6(3)10;/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14);1H2/t6-,7-;/m1./s1