2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfonyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-4-methylsulfonyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]acetic acid IUPAC Name: 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-mesyl-butanoyl]amino]acetic acid Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H20N2O7S/c1-25(22,23)8-7-12(14(20)16-9-13(18)19)17-15(21)24-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,20)(H,17,21)(H,18,19)/t12-/m0/s1