2-[azetidin-2-yl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioic acid

Systemtic Name: 2-[azetidin-2-yl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioic acid Openeye Name: 2-[azetidin-2-yl-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]butanedioic acid CAS Name: 2-[2-azetidinyl-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]butanedioic acid IUPAC Name: 2-[azetidin-2-yl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioic acid Traditional Name: 2-[azetidin-2-yl-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]succinic acid Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1CCN1)C(CC(=O)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)N(C1CCN1)C(CC(=O)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O7/c1-12(2)17(22-20(29)30-11-13-6-4-3-5-7-13)18(26)23(15-8-9-21-15)14(19(27)28)10-16(24)25/h3-7,12,14-15,17,21H,8-11H2,1-2H3,(H,22,29)(H,24,25)(H,27,28)