(3R,6S,9aR)-5-oxidanylidene-6-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxylic acid

Systemtic Name: (3R,6S,9aR)-5-oxidanylidene-6-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxylic acid Openeye Name: (3R,6S,9aR)-6-[(1-carboxy-3-phenyl-propyl)amino]-5-oxo-3,6,7,8,9,9a-hexahydro-2H-thiazolo[3,2-a]azepine-3-carboxylic acid CAS Name: (3R,6S,9aR)-6-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3,6,7,8,9,9a-hexahydro-2H-thiazolo[3,2-a]azepine-3-carboxylic acid IUPAC Name: (3R,6S,9aR)-6-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxylic acid Traditional Name: (3R,6S,9aR)-6-[(1-carboxy-3-phenyl-propyl)amino]-5-keto-3,6,7,8,9,9a-hexahydro-2H-thiazol[3,2-a]azepine-3-carboxylic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N2C(C1)SCC2C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@@H](C(=O)N2[C@@H](C1)SC[C@H]2C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H24N2O5S/c22-17-13(7-4-8-16-21(17)15(11-27-16)19(25)26)20-14(18(23)24)10-9-12-5-2-1-3-6-12/h1-3,5-6,13-16,20H,4,7-11H2,(H,23,24)(H,25,26)/t13-,14?,15-,16+/m0/s1