phenylmethoxycarbonyl 1-azanyl-2-[2-[2,6-bis(azanyl)hexanoylamino]propanoyl]cyclopentane-1-carboxylate

Systemtic Name: phenylmethoxycarbonyl 1-azanyl-2-[2-[2,6-bis(azanyl)hexanoylamino]propanoyl]cyclopentane-1-carboxylate Openeye Name: benzyloxycarbonyl 1-amino-2-[2-(2,6-diaminohexanoylamino)propanoyl]cyclopentanecarboxylate CAS Name: 1-amino-2-[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopropyl]-1-cyclopentanecarboxylic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl 1-amino-2-[2-(2,6-diaminohexanoylamino)propanoyl]cyclopentane-1-carboxylate Traditional Name: 1-amino-2-[2-(2,6-diaminohexanoylamino)propanoyl]cyclopentanecarboxylic acid carbobenzoxy ester Formula: C23H34N4O6 MolecularWeight: 462.53926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1CCCC1(C(=O)OC(=O)OCC2=CC=CC=C2)N)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C(=O)C1CCCC1(C(=O)OC(=O)OCC2=CC=CC=C2)N)NC(=O)C(CCCCN)N

InChI

InChI=1S/C23H34N4O6/c1-15(27-20(29)18(25)11-5-6-13-24)19(28)17-10-7-12-23(17,26)21(30)33-22(31)32-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14,24-26H2,1H3,(H,27,29)