(2S,3S)-2-(aminocarbonylamino)-3-methyl-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-3-methyl-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]pentanamide Openeye Name: (2S,3S)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pentanamide Traditional Name: (2S,3S)-N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-methyl-2-ureido-valeramide Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OC(C(=O)N2)C)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)O[C@@H](C(=O)N2)C)NC(=O)N

InChI

InChI=1S/C16H22N4O4/c1-4-8(2)13(20-16(17)23)15(22)18-10-5-6-12-11(7-10)19-14(21)9(3)24-12/h5-9,13H,4H2,1-3H3,(H,18,22)(H,19,21)(H3,17,20,23)/t8-,9+,13-/m0/s1