2-tert-butylsulfonylprop-2-enyl 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]oxymethyl]benzoate

Systemtic Name: 2-tert-butylsulfonylprop-2-enyl 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]oxymethyl]benzoate Openeye Name: 2-tert-butylsulfonylallyl 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]oxymethyl]benzoate CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentoxy]methyl]benzoic acid 2-tert-butylsulfonylprop-2-enyl ester IUPAC Name: 2-tert-butylsulfonylprop-2-enyl 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]oxymethyl]benzoate Traditional Name: 2-[[4-methyl-2-(phenylalanylamino)pentanoyl]oxymethyl]benzoic acid 2-tert-butylsulfonylallyl ester Formula: C30H40N2O7S MolecularWeight: 572.7128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1C(=O)OCC(=C)S(=O)(=O)C(C)(C)C)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1C(=O)OCC(=C)S(=O)(=O)C(C)(C)C)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C30H40N2O7S/c1-20(2)16-26(32-27(33)25(31)17-22-12-8-7-9-13-22)29(35)39-19-23-14-10-11-15-24(23)28(34)38-18-21(3)40(36,37)30(4,5)6/h7-15,20,25-26H,3,16-19,31H2,1-2,4-6H3,(H,32,33)