methyl 2-[(2-azanyl-3-phenyl-propanoyl)-(2-tert-butylsulfonylprop-2-enoxycarbonyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(2-azanyl-3-phenyl-propanoyl)-(2-tert-butylsulfonylprop-2-enoxycarbonyl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2-amino-3-phenyl-propanoyl)-(2-tert-butylsulfonylallyloxycarbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-phenylpropanoyl)-(2-tert-butylsulfonylprop-2-enoxycarbonyl)amino]-4-methylpentanoate Traditional Name: 2-[2-tert-butylsulfonylallyloxycarbonyl(phenylalanyl)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)N(C(=O)C(CC1=CC=CC=C1)N)C(=O)OCC(=C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

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

InChI

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