N-[(4-carbamimidoylphenyl)methyl]-2-[(2R)-3-oxidanylidene-4-(phenylcarbamoylamino)morpholin-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[(2R)-3-oxidanylidene-4-(phenylcarbamoylamino)morpholin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[(2R)-3-oxo-4-(phenylcarbamoylamino)morpholin-2-yl]acetamide CAS Name: 2-[(2R)-4-[[anilino(oxo)methyl]amino]-3-oxo-2-morpholinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[(2R)-3-oxo-4-(phenylcarbamoylamino)morpholin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[(2R)-3-keto-4-(phenylcarbamoylamino)morpholin-2-yl]acetamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(=O)N1NC(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CO[C@@H](C(=O)N1NC(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N6O4/c22-19(23)15-8-6-14(7-9-15)13-24-18(28)12-17-20(29)27(10-11-31-17)26-21(30)25-16-4-2-1-3-5-16/h1-9,17H,10-13H2,(H3,22,23)(H,24,28)(H2,25,26,30)/t17-/m1/s1