(2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanamide dihydrate

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanamide dihydrate Openeye Name: (2S)-2-amino-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]butanamide dihydrate CAS Name: (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanamide dihydrate IUPAC Name: (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanamide dihydrate Traditional Name: (2S)-2-amino-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]butyramide dihydrate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)N.O.O

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N.O.O

InChI

InChI=1S/C13H19N3O2.2H2O/c1-2-10(14)13(18)16-11(12(15)17)8-9-6-4-3-5-7-9;;/h3-7,10-11H,2,8,14H2,1H3,(H2,15,17)(H,16,18);2*1H2/t10-,11-;;/m0../s1