(2S)-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]amino]-N-propyl-propionamide Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CC1C(=O)NC2=CC=CC=C2O1

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C[C@H]1C(=O)NC2=CC=CC=C2O1

InChI

InChI=1S/C16H21N3O4/c1-3-8-17-15(21)10(2)18-14(20)9-13-16(22)19-11-6-4-5-7-12(11)23-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t10-,13-/m0/s1