3-[2-[3-[3-(1H-imidazol-2-ylamino)propyl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[3-[3-(1H-imidazol-2-ylamino)propyl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[2-[3-[3-(1H-imidazol-2-ylamino)propyl]-4,5-dihydroisoxazol-5-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[3-[3-(1H-imidazol-2-ylamino)propyl]-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[2-[3-[3-(1H-imidazol-2-ylamino)propyl]-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[2-[3-[3-(1H-imidazol-2-ylamino)propyl]-2-isoxazolin-5-yl]acetyl]amino]propionic acid Formula: C22H28N6O6 MolecularWeight: 472.49432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1CCCNC2=NC=CN2)CC(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(ON=C1CCCNC2=NC=CN2)CC(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N6O6/c29-19(12-17-11-16(28-34-17)7-4-8-23-21-24-9-10-25-21)26-13-18(20(30)31)27-22(32)33-14-15-5-2-1-3-6-15/h1-3,5-6,9-10,17-18H,4,7-8,11-14H2,(H,26,29)(H,27,32)(H,30,31)(H2,23,24,25)