methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-nitrophenyl)sulfonyl-5-phenyl-pentanoate

Systemtic Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-nitrophenyl)sulfonyl-5-phenyl-pentanoate Openeye Name: methyl (3S)-3-(tert-butoxycarbonylamino)-2-(4-nitrophenyl)sulfonyl-5-phenyl-pentanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-nitrophenyl)sulfonyl-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-nitrophenyl)sulfonyl-5-phenylpentanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-2-nosyl-5-phenyl-valeric acid methyl ester Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O8S/c1-23(2,3)33-22(27)24-19(15-10-16-8-6-5-7-9-16)20(21(26)32-4)34(30,31)18-13-11-17(12-14-18)25(28)29/h5-9,11-14,19-20H,10,15H2,1-4H3,(H,24,27)/t19-,20?/m0/s1