(2S)-2-azanyl-N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-[(3-bromo-2-isoxazolin-5-yl)methylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]-3-phenyl-propionamide Formula: C22H25BrN4O4 MolecularWeight: 489.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C22H25BrN4O4/c23-20-12-17(31-27-20)13-25-22(30)19(11-15-6-8-16(28)9-7-15)26-21(29)18(24)10-14-4-2-1-3-5-14/h1-9,17-19,28H,10-13,24H2,(H,25,30)(H,26,29)/t17?,18-,19-/m0/s1