2-[(3R,4R)-2-oxidanylidene-4-phenacylsulfanyl-3-(2-phenylethanoylamino)azetidin-1-yl]ethanoic acid

Systemtic Name: 2-[(3R,4R)-2-oxidanylidene-4-phenacylsulfanyl-3-(2-phenylethanoylamino)azetidin-1-yl]ethanoic acid Openeye Name: 2-[(3R,4R)-2-oxo-4-phenacylsulfanyl-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid CAS Name: 2-[(3R,4R)-2-oxo-3-[(1-oxo-2-phenylethyl)amino]-4-(phenacylthio)-1-azetidinyl]acetic acid IUPAC Name: 2-[(3R,4R)-2-oxo-4-phenacylsulfanyl-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid Traditional Name: 2-[(3R,4R)-2-keto-4-(phenacylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C(N(C2=O)CC(=O)O)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@H]2[C@H](N(C2=O)CC(=O)O)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c24-16(15-9-5-2-6-10-15)13-29-21-19(20(28)23(21)12-18(26)27)22-17(25)11-14-7-3-1-4-8-14/h1-10,19,21H,11-13H2,(H,22,25)(H,26,27)/t19-,21-/m1/s1