2-[[1-[1-(phenylmethoxycarbonylamino)cyclopropyl]carbonylpyrrolidin-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-[1-(phenylmethoxycarbonylamino)cyclopropyl]carbonylpyrrolidin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-[1-(benzyloxycarbonylamino)cyclopropanecarbonyl]pyrrolidine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[oxo-[1-[oxo-[1-(phenylmethoxycarbonylamino)cyclopropyl]methyl]-2-pyrrolidinyl]methyl]amino]butanedioic acid IUPAC Name: 2-[[1-[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]pyrrolidine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[1-[1-(benzyloxycarbonylamino)cyclopropanecarbonyl]prolyl]amino]succinic acid Formula: C21H25N3O8 MolecularWeight: 447.4385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2(CC2)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2(CC2)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H25N3O8/c25-16(26)11-14(18(28)29)22-17(27)15-7-4-10-24(15)19(30)21(8-9-21)23-20(31)32-12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,22,27)(H,23,31)(H,25,26)(H,28,29)