2-[(2-acetyloxy-4-oxidanylidene-azetidin-3-yl)amino]-5-(aminocarbonylamino)-2-(3-phenylpropanoylamino)pentanoic acid

Systemtic Name: 2-[(2-acetyloxy-4-oxidanylidene-azetidin-3-yl)amino]-5-(aminocarbonylamino)-2-(3-phenylpropanoylamino)pentanoic acid Openeye Name: 2-[(2-acetoxy-4-oxo-azetidin-3-yl)amino]-2-(3-phenylpropanoylamino)-5-ureido-pentanoic acid CAS Name: 2-[(2-acetyloxy-4-oxo-3-azetidinyl)amino]-5-(carbamoylamino)-2-[(1-oxo-3-phenylpropyl)amino]pentanoic acid IUPAC Name: 2-[(2-acetyloxy-4-oxoazetidin-3-yl)amino]-5-(carbamoylamino)-2-(3-phenylpropanoylamino)pentanoic acid Traditional Name: 2-[(2-acetoxy-4-keto-azetidin-3-yl)amino]-2-(hydrocinnamoylamino)-5-ureido-valeric acid Formula: C20H27N5O7 MolecularWeight: 449.45768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1)NC(CCCNC(=O)N)(C(=O)O)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1C(C(=O)N1)NC(CCCNC(=O)N)(C(=O)O)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H27N5O7/c1-12(26)32-17-15(16(28)23-17)25-20(18(29)30,10-5-11-22-19(21)31)24-14(27)9-8-13-6-3-2-4-7-13/h2-4,6-7,15,17,25H,5,8-11H2,1H3,(H,23,28)(H,24,27)(H,29,30)(H3,21,22,31)