(2S)-2-(2-azanylethanoylamino)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenyl-propanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenyl-propanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenylpropanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide Traditional Name: (2S)-N-[(3-bromo-2-isoxazolin-5-yl)methyl]-2-(glycylamino)-3-phenyl-propionamide Formula: C15H19BrN4O3 MolecularWeight: 383.24036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CNC(=O)C(CC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C15H19BrN4O3/c16-13-7-11(23-20-13)9-18-15(22)12(19-14(21)8-17)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,22)(H,19,21)/t11?,12-/m0/s1