methyl (3S)-4-[butyl-(phenylmethyl)amino]-3-[2-[3-[4-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-[butyl-(phenylmethyl)amino]-3-[2-[3-[4-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-[benzyl(butyl)amino]-3-[[2-[3-[4-[(E)-N'-tert-butoxycarbonylcarbamimidoyl]phenyl]-4,5-dihydroisoxazol-5-yl]acetyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-[[2-[3-[4-[(E)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]phenyl]-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-4-[butyl-(phenylmethyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-[benzyl(butyl)amino]-3-[[2-[3-[4-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[benzyl(butyl)amino]-3-[[2-[3-[4-[(E)-N'-tert-butoxycarbonylamidino]phenyl]-2-isoxazolin-5-yl]acetyl]amino]-4-keto-butyric acid methyl ester Formula: C33H43N5O7 MolecularWeight: 621.72382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C(CC(=O)OC)NC(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)[C@H](CC(=O)OC)NC(=O)CC2CC(=NO2)C3=CC=C(C=C3)/C(=N\C(=O)OC(C)(C)C)/N

InChI

InChI=1S/C33H43N5O7/c1-6-7-17-38(21-22-11-9-8-10-12-22)31(41)27(20-29(40)43-5)35-28(39)19-25-18-26(37-45-25)23-13-15-24(16-14-23)30(34)36-32(42)44-33(2,3)4/h8-16,25,27H,6-7,17-21H2,1-5H3,(H,35,39)(H2,34,36,42)/t25?,27-/m0/s1