3-[(2-azanyl-4-oxidanylidene-3-propan-2-yl-hexanoyl)-phenyl-amino]propanoic acid

Systemtic Name: 3-[(2-azanyl-4-oxidanylidene-3-propan-2-yl-hexanoyl)-phenyl-amino]propanoic acid Openeye Name: 3-(N-(2-amino-3-isopropyl-4-oxo-hexanoyl)anilino)propanoic acid CAS Name: 3-(N-(2-amino-1,4-dioxo-3-propan-2-ylhexyl)anilino)propanoic acid IUPAC Name: 3-(N-(2-amino-4-oxo-3-propan-2-ylhexanoyl)anilino)propanoic acid Traditional Name: 3-(N-(2-amino-3-isopropyl-4-keto-hexanoyl)anilino)propionic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-4-14(21)16(12(2)3)17(19)18(24)20(11-10-15(22)23)13-8-6-5-7-9-13/h5-9,12,16-17H,4,10-11,19H2,1-3H3,(H,22,23)