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

Systemtic Name: 2-(2-azanylethanoylamino)-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenyl-propanamide; ethanedioic acid Openeye Name: 2-[(2-aminoacetyl)amino]-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenyl-propanamide; oxalic acid CAS Name: 2-[(2-amino-1-oxoethyl)amino]-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenylpropanamide; oxalic acid IUPAC Name: 2-[(2-aminoacetyl)amino]-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide; oxalic acid Traditional Name: N-[(3-bromo-2-isoxazolin-5-yl)methyl]-2-(glycylamino)-3-phenyl-propionamide; oxalic acid Formula: C17H21BrN4O7 MolecularWeight: 473.27524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4O3.C2H2O4/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;3-1(4)2(5)6/h1-5,11-12H,6-9,17H2,(H,18,22)(H,19,21);(H,3,4)(H,5,6)