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

Systemtic Name: methyl (3S)-3-[2-[3-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-4-(phenethylamino)butanoate Openeye Name: methyl (3S)-3-[[2-[3-[4-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]phenyl]-4,5-dihydroisoxazol-5-yl]acetyl]amino]-4-oxo-4-(phenethylamino)butanoate CAS Name: (3S)-3-[[2-[3-[4-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]phenyl]-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-4-oxo-4-(phenethylamino)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[2-[3-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-4-oxo-4-(phenethylamino)butanoate Traditional Name: (3S)-3-[[2-[3-[4-[(Z)-N'-tert-butoxycarbonylamidino]phenyl]-2-isoxazolin-5-yl]acetyl]amino]-4-keto-4-(phenethylamino)butyric acid methyl ester Formula: C30H37N5O7 MolecularWeight: 579.64408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(C1=CC=C(C=C1)C2=NOC(C2)CC(=O)NC(CC(=O)OC)C(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(/C1=CC=C(C=C1)C2=NOC(C2)CC(=O)N[C@@H](CC(=O)OC)C(=O)NCCC3=CC=CC=C3)\N

InChI

InChI=1S/C30H37N5O7/c1-30(2,3)41-29(39)34-27(31)21-12-10-20(11-13-21)23-16-22(42-35-23)17-25(36)33-24(18-26(37)40-4)28(38)32-15-14-19-8-6-5-7-9-19/h5-13,22,24H,14-18H2,1-4H3,(H,32,38)(H,33,36)(H2,31,34,39)/t22?,24-/m0/s1