ethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-(3-nitrophenyl)propanoate

Systemtic Name: ethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-(3-nitrophenyl)propanoate Openeye Name: ethyl 3-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-(3-nitrophenyl)propanoate CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]-3-(3-nitrophenyl)propanoate Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C(CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O7S/c1-6-30-18(25)13-17(14-8-7-9-15(12-14)24(28)29)22-19(26)16(10-11-32-5)23-20(27)31-21(2,3)4/h7-9,12,16-17H,6,10-11,13H2,1-5H3,(H,22,26)(H,23,27)