methyl (E)-4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]but-2-enoate

Systemtic Name: methyl (E)-4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]but-2-enoate Openeye Name: methyl (E)-4-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]but-2-enoate CAS Name: (E)-4-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]but-2-enoate Traditional Name: (E)-4-[[(2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]but-2-enoic acid methyl ester Formula: C15H26N2O5S MolecularWeight: 346.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC=CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC/C=C/C(=O)OC

InChI

InChI=1S/C15H26N2O5S/c1-15(2,3)22-14(20)17-11(8-10-23-5)13(19)16-9-6-7-12(18)21-4/h6-7,11H,8-10H2,1-5H3,(H,16,19)(H,17,20)/b7-6+/t11-/m0/s1