(phenylmethyl) 2-[2,6-bis(azanyl)hexanoyl-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: (phenylmethyl) 2-[2,6-bis(azanyl)hexanoyl-phenylmethoxycarbonyl-amino]propanoate Openeye Name: benzyl 2-[benzyloxycarbonyl(2,6-diaminohexanoyl)amino]propanoate CAS Name: 2-[(2,6-diamino-1-oxohexyl)-phenylmethoxycarbonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2,6-diaminohexanoyl(phenylmethoxycarbonyl)amino]propanoate Traditional Name: 2-[carbobenzoxy(2,6-diaminohexanoyl)amino]propionic acid benzyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5/c1-18(23(29)31-16-19-10-4-2-5-11-19)27(22(28)21(26)14-8-9-15-25)24(30)32-17-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17,25-26H2,1H3