tert-butyl (2S)-3-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[2-[3-[4-(C-methylsulfanylcarbonimidoyl)phenyl]propanoylamino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]butanoate

Systemtic Name: tert-butyl (2S)-3-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[2-[3-[4-(C-methylsulfanylcarbonimidoyl)phenyl]propanoylamino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-4-tert-butoxy-2-[[2-[3-[4-(methylsulfanylcarbonimidoyl)phenyl]propanoylamino]acetyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[2-[[3-[4-[imino-(methylthio)methyl]phenyl]-1-oxopropyl]amino]-1-oxoethyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[[2-[3-[4-(C-methylsulfanylcarbonimidoyl)phenyl]propanoylamino]acetyl]amino]-4-oxobutanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-4-tert-butoxy-4-keto-2-[[2-[3-[4-[(methylthio)carbonimidoyl]phenyl]propanoylamino]acetyl]amino]butanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C30H46N4O7S MolecularWeight: 606.77384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC(=O)CCC1=CC=C(C=C1)C(=N)SC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)CCC1=CC=C(C=C1)C(=N)SC

InChI

InChI=1S/C30H46N4O7S/c1-18(2)25(28(39)41-30(6,7)8)34-27(38)21(16-24(37)40-29(3,4)5)33-23(36)17-32-22(35)15-12-19-10-13-20(14-11-19)26(31)42-9/h10-11,13-14,18,21,25,31H,12,15-17H2,1-9H3,(H,32,35)(H,33,36)(H,34,38)/t21-,25-/m0/s1