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

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoate; urea Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoate; urea CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid methyl ester; urea IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate; urea Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butyric acid methyl ester; urea Formula: C16H26N4O4 MolecularWeight: 338.40204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3.CH4N2O/c1-10(2)13(15(19)20-3)17-14(18)12(16)9-11-7-5-4-6-8-11;2-1(3)4/h4-8,10,12-13H,9,16H2,1-3H3,(H,17,18);(H4,2,3,4)/t12-,13-;/m0./s1