(2S)-5-azanyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[(3-morpholinosulfonylbenzoyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-[(3-morpholinosulfonylbenzoyl)amino]valeric acid Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C16H21N3O7S/c17-14(20)5-4-13(16(22)23)18-15(21)11-2-1-3-12(10-11)27(24,25)19-6-8-26-9-7-19/h1-3,10,13H,4-9H2,(H2,17,20)(H,18,21)(H,22,23)/t13-/m0/s1