2-azanyl-2-methylsulfonyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-azanyl-2-methylsulfonyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-amino-3-(benzyloxycarbonylamino)-2-methylsulfonyl-4-oxo-pentanoic acid CAS Name: 2-amino-2-methylsulfonyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-amino-2-methylsulfonyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-amino-3-(benzyloxycarbonylamino)-4-keto-2-mesyl-valeric acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C(=O)O)(N)S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(C(C(=O)O)(N)S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O7S/c1-9(17)11(14(15,12(18)19)24(2,21)22)16-13(20)23-8-10-6-4-3-5-7-10/h3-7,11H,8,15H2,1-2H3,(H,16,20)(H,18,19)