2-azanyl-2-[3-(carboxymethyl)cyclobutyl]-3-(9-sulfanylidenexanthen-1-yl)propanoic acid

Systemtic Name: 2-azanyl-2-[3-(carboxymethyl)cyclobutyl]-3-(9-sulfanylidenexanthen-1-yl)propanoic acid Openeye Name: 2-amino-2-[3-(carboxymethyl)cyclobutyl]-3-(9-thioxoxanthen-1-yl)propanoic acid CAS Name: 2-amino-2-[3-(carboxymethyl)cyclobutyl]-3-(9-sulfanylidene-1-xanthenyl)propanoic acid IUPAC Name: 2-amino-2-[3-(carboxymethyl)cyclobutyl]-3-(9-sulfanylidenexanthen-1-yl)propanoic acid Traditional Name: 2-amino-2-[3-(carboxymethyl)cyclobutyl]-3-(9-thioxoxanthen-1-yl)propionic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(CC2=C3C(=CC=C2)OC4=CC=CC=C4C3=S)(C(=O)O)N)CC(=O)O

Isomeric SMILES

C1C(CC1C(CC2=C3C(=CC=C2)OC4=CC=CC=C4C3=S)(C(=O)O)N)CC(=O)O

InChI

InChI=1S/C22H21NO5S/c23-22(21(26)27,14-8-12(9-14)10-18(24)25)11-13-4-3-7-17-19(13)20(29)15-5-1-2-6-16(15)28-17/h1-7,12,14H,8-11,23H2,(H,24,25)(H,26,27)