(2-methylpropan-2-yl)oxycarbonyl 5-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-7-methyl-4-oxidanylidene-3-thionitroso-octanoate

Systemtic Name: (2-methylpropan-2-yl)oxycarbonyl 5-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-7-methyl-4-oxidanylidene-3-thionitroso-octanoate Openeye Name: tert-butoxycarbonyl 5-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-7-methyl-4-oxo-3-thionitroso-octanoate CAS Name: 5-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-7-methyl-4-oxo-3-thionitrosooctanoic acid [(2-methylpropan-2-yl)oxy-oxomethyl] ester IUPAC Name: (2-methylpropan-2-yl)oxycarbonyl 5-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-7-methyl-4-oxo-3-thionitrosooctanoate Traditional Name: 5-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-7-methyl-3-thionitroso-caprylic acid tert-butoxycarbonyl ester Formula: C25H34N4O6S MolecularWeight: 518.62566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CC(=O)OC(=O)OC(C)(C)C)N=S)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CC(C)CC(C(=O)C(CC(=O)OC(=O)OC(C)(C)C)N=S)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C25H34N4O6S/c1-14(2)10-19(22(31)20(29-36)12-21(30)34-24(33)35-25(3,4)5)28-23(32)17(26)11-15-13-27-18-9-7-6-8-16(15)18/h6-9,13-14,17,19-20,27H,10-12,26H2,1-5H3,(H,28,32)