1-[6-azanyl-2-[(7-azanyl-1-oxidanylidene-1-phenylmethoxy-heptan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(7-azanyl-1-oxidanylidene-1-phenylmethoxy-heptan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(6-amino-1-benzyloxycarbonyl-hexyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[(7-amino-1-oxo-1-phenylmethoxyheptan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(7-amino-1-oxo-1-phenylmethoxyheptan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[(6-amino-1-carbobenzoxy-hexyl)amino]hexanoyl]proline Formula: C25H40N4O5 MolecularWeight: 476.6089

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCCCCN)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CCCCCN)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H40N4O5/c26-15-7-2-5-13-21(25(33)34-18-19-10-3-1-4-11-19)28-20(12-6-8-16-27)23(30)29-17-9-14-22(29)24(31)32/h1,3-4,10-11,20-22,28H,2,5-9,12-18,26-27H2,(H,31,32)