(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid; urea

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid; urea Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid; urea CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid; urea IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoic acid; urea Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butyric acid; urea Formula: C15H24N4O4 MolecularWeight: 324.37546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3.CH4N2O/c1-9(2)12(14(18)19)16-13(17)11(15)8-10-6-4-3-5-7-10;2-1(3)4/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19);(H4,2,3,4)/t11-,12-;/m0./s1