methyl 2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[2-(tert-butylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzyl-3-tert-butylsulfonylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)OC

InChI

InChI=1S/C21H29N3O5S/c1-21(2,3)30(27,28)13-16(10-15-8-6-5-7-9-15)19(25)24-18(20(26)29-4)11-17-12-22-14-23-17/h5-9,12,14,16,18H,10-11,13H2,1-4H3,(H,22,23)(H,24,25)