2-[[2-azanyl-3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-azanyl-3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-amino-3-(4-morpholinosulfonylphenyl)propanoyl]amino]butanedioic acid CAS Name: 2-[[2-amino-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-amino-3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]butanedioic acid Traditional Name: 2-[[2-amino-3-(4-morpholinosulfonylphenyl)propanoyl]amino]succinic acid Formula: C17H23N3O8S MolecularWeight: 429.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O8S/c18-13(16(23)19-14(17(24)25)10-15(21)22)9-11-1-3-12(4-2-11)29(26,27)20-5-7-28-8-6-20/h1-4,13-14H,5-10,18H2,(H,19,23)(H,21,22)(H,24,25)