2-[tert-butyl-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl]amino]butanedioic acid

Systemtic Name: 2-[tert-butyl-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl]amino]butanedioic acid Openeye Name: 2-[2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoyl-tert-butyl-amino]butanedioic acid CAS Name: 2-[tert-butyl-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]amino]butanedioic acid IUPAC Name: 2-[tert-butyl-[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]butanedioic acid Traditional Name: 2-[2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoyl-tert-butyl-amino]succinic acid Formula: C21H29N3O8 MolecularWeight: 451.47026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CC(=O)O)C(=O)O)C(C)(C)C)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)N(C(CC(=O)O)C(=O)O)C(C)(C)C)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H29N3O8/c1-13(18(28)24(21(2,3)4)15(19(29)30)10-17(26)27)23-16(25)11-22-20(31)32-12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,22,31)(H,23,25)(H,26,27)(H,29,30)