3-azanyl-4-[[3-methyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[3-methyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methyl-1-(1-phenylethylcarbamoyl)propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-methyl-1-(1-phenylethylcarbamoyl)propyl]amino]butyric acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-10(2)15(20-16(23)13(18)9-14(21)22)17(24)19-11(3)12-7-5-4-6-8-12/h4-8,10-11,13,15H,9,18H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)