methyl (2S)-2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C24H36N2O7S MolecularWeight: 496.61684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C24H36N2O7S/c1-16(2)13-20(22(28)32-7)25-21(27)19(14-18-11-9-8-10-12-18)26-23(29)33-15-17(3)34(30,31)24(4,5)6/h8-12,16,19-20H,3,13-15H2,1-2,4-7H3,(H,25,27)(H,26,29)/t19-,20-/m0/s1