[3-[[3-azanyl-2-(tert-butylsulfanylmethyl)-2-methyl-3-oxidanylidene-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl] N-azanylcarbamate

Systemtic Name: [3-[[3-azanyl-2-(tert-butylsulfanylmethyl)-2-methyl-3-oxidanylidene-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl] N-azanylcarbamate Openeye Name: [3-[[3-amino-2-(tert-butylsulfanylmethyl)-2-methyl-3-oxo-propanoyl]amino]-2-hydroxy-4-phenyl-butyl] N-aminocarbamate CAS Name: N-aminocarbamic acid [3-[[3-amino-2-[(tert-butylthio)methyl]-2-methyl-1,3-dioxopropyl]amino]-2-hydroxy-4-phenylbutyl] ester IUPAC Name: [3-[[3-amino-2-(tert-butylsulfanylmethyl)-2-methyl-3-oxopropanoyl]amino]-2-hydroxy-4-phenylbutyl] N-aminocarbamate Traditional Name: N-aminocarbamic acid [3-[[3-amino-2-[(tert-butylthio)methyl]-3-keto-2-methyl-propanoyl]amino]-2-hydroxy-4-phenyl-butyl] ester Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C)(C(=O)N)C(=O)NC(CC1=CC=CC=C1)C(COC(=O)NN)O

Isomeric SMILES

CC(C)(C)SCC(C)(C(=O)N)C(=O)NC(CC1=CC=CC=C1)C(COC(=O)NN)O

InChI

InChI=1S/C20H32N4O5S/c1-19(2,3)30-12-20(4,16(21)26)17(27)23-14(10-13-8-6-5-7-9-13)15(25)11-29-18(28)24-22/h5-9,14-15,25H,10-12,22H2,1-4H3,(H2,21,26)(H,23,27)(H,24,28)