tert-butyl N-[[(2S)-2-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-phenyl-amino]carbamate

Systemtic Name: tert-butyl N-[[(2S)-2-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-phenyl-amino]carbamate Openeye Name: tert-butyl N-(N-[(2S)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-4-methylsulfanyl-butanoyl]anilino)carbamate CAS Name: N-(N-[(2S)-2-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]anilino)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(N-[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]anilino)carbamate Traditional Name: N-(N-[(2S)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-4-(methylthio)butanoyl]anilino)carbamic acid tert-butyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CCSC)C(=O)N(C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CCSC)C(=O)N(C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N3O5S/c1-16-18(12-9-13-20(16)28)21(29)25-19(14-15-33-5)22(30)27(17-10-7-6-8-11-17)26-23(31)32-24(2,3)4/h6-13,19,28H,14-15H2,1-5H3,(H,25,29)(H,26,31)/t19-/m0/s1