2-[[5-[5-(2-aminocarbonylphenyl)-2-methanoyl-7,8-dithiabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-3-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: 2-[[5-[5-(2-aminocarbonylphenyl)-2-methanoyl-7,8-dithiabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-3-methyl-pentanoyl]amino]propanoic acid Openeye Name: 2-[[5-[5-(2-carbamoylphenyl)-2-formyl-7,8-dithiabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-3-methyl-pentanoyl]amino]propanoic acid CAS Name: 2-[[5-[5-(2-carbamoylphenyl)-2-formyl-7,8-dithiabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-3-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 2-[[5-[5-(2-carbamoylphenyl)-2-formyl-7,8-dithiabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-3-methylpentanoyl]amino]propanoic acid Traditional Name: 2-[[5-[5-(2-carbamoylphenyl)-2-formyl-7,8-dithiabicyclo[4.2.0]octa-1,3,5-trien-4-yl]-3-methyl-pentanoyl]amino]propionic acid Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C2=C(C(=C1)C=O)SS2)C3=CC=CC=C3C(=O)N)CC(=O)NC(C)C(=O)O

Isomeric SMILES

CC(CCC1=C(C2=C(C(=C1)C=O)SS2)C3=CC=CC=C3C(=O)N)CC(=O)NC(C)C(=O)O

InChI

InChI=1S/C23H24N2O5S2/c1-12(9-18(27)25-13(2)23(29)30)7-8-14-10-15(11-26)20-21(32-31-20)19(14)16-5-3-4-6-17(16)22(24)28/h3-6,10-13H,7-9H2,1-2H3,(H2,24,28)(H,25,27)(H,29,30)