(2S)-3-(aminocarbonylamino)-2-azanyl-N-(phenylmethyl)propanamide; ethanoic acid

Systemtic Name: (2S)-3-(aminocarbonylamino)-2-azanyl-N-(phenylmethyl)propanamide; ethanoic acid Openeye Name: acetic acid; (2S)-2-amino-N-benzyl-3-ureido-propanamide CAS Name: acetic acid; (2S)-2-amino-3-(carbamoylamino)-N-(phenylmethyl)propanamide IUPAC Name: acetic acid; (2S)-2-amino-N-benzyl-3-(carbamoylamino)propanamide Traditional Name: acetic acid; (2S)-2-amino-N-benzyl-3-ureido-propionamide Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CNC(=O)C(CNC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O2.C2H4O2/c12-9(7-15-11(13)17)10(16)14-6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,12H2,(H,14,16)(H3,13,15,17);1H3,(H,3,4)/t9-;/m0./s1