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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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