(2S)-2-[(4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-N-propan-2-yl-butanediamide

Systemtic Name: (2S)-2-[(4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-N-propan-2-yl-butanediamide Openeye Name: (2S)-N-isopropyl-2-[(4-oxo-3,1-benzoxazin-2-yl)amino]butanediamide CAS Name: (2S)-2-[(4-oxo-3,1-benzoxazin-2-yl)amino]-N-propan-2-ylbutanediamide IUPAC Name: (2S)-2-[(4-oxo-3,1-benzoxazin-2-yl)amino]-N-propan-2-ylbutanediamide Traditional Name: (2S)-N-isopropyl-2-[(4-keto-3,1-benzoxazin-2-yl)amino]succinamide Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CC(=O)N)NC1=NC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)NC(=O)[C@H](CC(=O)N)NC1=NC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C15H18N4O4/c1-8(2)17-13(21)11(7-12(16)20)19-15-18-10-6-4-3-5-9(10)14(22)23-15/h3-6,8,11H,7H2,1-2H3,(H2,16,20)(H,17,21)(H,18,19)/t11-/m0/s1