phenylmethoxycarbonyl 1-azanyl-2-[2-[2-azanylpropanoyl(ethyl)amino]propanoyl]cyclopentane-1-carboxylate

Systemtic Name: phenylmethoxycarbonyl 1-azanyl-2-[2-[2-azanylpropanoyl(ethyl)amino]propanoyl]cyclopentane-1-carboxylate Openeye Name: benzyloxycarbonyl 1-amino-2-[2-[2-aminopropanoyl(ethyl)amino]propanoyl]cyclopentanecarboxylate CAS Name: 1-amino-2-[2-[(2-amino-1-oxopropyl)-ethylamino]-1-oxopropyl]-1-cyclopentanecarboxylic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl 1-amino-2-[2-[2-aminopropanoyl(ethyl)amino]propanoyl]cyclopentane-1-carboxylate Traditional Name: 2-[2-[alanyl(ethyl)amino]propanoyl]-1-amino-cyclopentanecarboxylic acid carbobenzoxy ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C(=O)C1CCCC1(C(=O)OC(=O)OCC2=CC=CC=C2)N)C(=O)C(C)N

Isomeric SMILES

CCN(C(C)C(=O)C1CCCC1(C(=O)OC(=O)OCC2=CC=CC=C2)N)C(=O)C(C)N

InChI

InChI=1S/C22H31N3O6/c1-4-25(19(27)14(2)23)15(3)18(26)17-11-8-12-22(17,24)20(28)31-21(29)30-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13,23-24H2,1-3H3