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

Systemtic Name: methyl (2S)-3-[2-[3-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(phenethylsulfamoylamino)propanoate Openeye Name: methyl (2S)-3-[[2-[3-[4-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]phenyl]-4,5-dihydroisoxazol-5-yl]acetyl]amino]-2-(phenethylsulfamoylamino)propanoate CAS Name: (2S)-3-[[2-[3-[4-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]phenyl]-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-2-(phenethylsulfamoylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[[2-[3-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-(phenethylsulfamoylamino)propanoate Traditional Name: (2S)-3-[[2-[3-[4-[(Z)-N'-tert-butoxycarbonylamidino]phenyl]-2-isoxazolin-5-yl]acetyl]amino]-2-(phenethylsulfamoylamino)propionic acid methyl ester Formula: C29H38N6O8S MolecularWeight: 630.71242

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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)NCC(C(=O)OC)NS(=O)(=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)NC[C@@H](C(=O)OC)NS(=O)(=O)NCCC3=CC=CC=C3)\N

InChI

InChI=1S/C29H38N6O8S/c1-29(2,3)42-28(38)33-26(30)21-12-10-20(11-13-21)23-16-22(43-34-23)17-25(36)31-18-24(27(37)41-4)35-44(39,40)32-15-14-19-8-6-5-7-9-19/h5-13,22,24,32,35H,14-18H2,1-4H3,(H,31,36)(H2,30,33,38)/t22?,24-/m0/s1