(3S)-3-azanyl-4-[[2-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[2-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[(5-tert-butoxycarbonyl-2-iodo-phenyl)methyl-methyl-amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[2-iodo-5-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl-methylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[2-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl-methylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[(5-tert-butoxycarbonyl-2-iodo-benzyl)-methyl-amino]-4-keto-butyric acid Formula: C17H23IN2O5 MolecularWeight: 462.27939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)I)CN(C)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)I)CN(C)C(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C17H23IN2O5/c1-17(2,3)25-16(24)10-5-6-12(18)11(7-10)9-20(4)15(23)13(19)8-14(21)22/h5-7,13H,8-9,19H2,1-4H3,(H,21,22)/t13-/m0/s1