O1-tert-butyl O3-(phenylmethyl) 2-[2,6-bis(azanyl)hexanoyl-cyclopentyl-amino]propanedioate

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) 2-[2,6-bis(azanyl)hexanoyl-cyclopentyl-amino]propanedioate Openeye Name: O1-benzyl O3-tert-butyl 2-[cyclopentyl(2,6-diaminohexanoyl)amino]propanedioate CAS Name: 2-[cyclopentyl-(2,6-diamino-1-oxohexyl)amino]propanedioic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl 2-[cyclopentyl(2,6-diaminohexanoyl)amino]propanedioate Traditional Name: 2-[cyclopentyl(2,6-diaminohexanoyl)amino]malonic acid O1-benzyl ester O3-tert-butyl ester Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)OCC1=CC=CC=C1)N(C2CCCC2)C(=O)C(CCCCN)N

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)OCC1=CC=CC=C1)N(C2CCCC2)C(=O)C(CCCCN)N

InChI

InChI=1S/C25H39N3O5/c1-25(2,3)33-24(31)21(23(30)32-17-18-11-5-4-6-12-18)28(19-13-7-8-14-19)22(29)20(27)15-9-10-16-26/h4-6,11-12,19-21H,7-10,13-17,26-27H2,1-3H3