2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]propanoic acid Openeye Name: 2-[[6-amino-2-[bis(benzyloxycarbonyl)amino]hexanoyl]amino]propanoic acid CAS Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]propanoic acid Traditional Name: 2-[[6-amino-2-(dicarbobenzoxyamino)hexanoyl]amino]propionic acid Formula: C25H31N3O7 MolecularWeight: 485.52954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCCCN)N(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CCCCN)N(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O7/c1-18(23(30)31)27-22(29)21(14-8-9-15-26)28(24(32)34-16-19-10-4-2-5-11-19)25(33)35-17-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17,26H2,1H3,(H,27,29)(H,30,31)