(phenylmethyl) 3-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]-4-piperazin-2-yl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]-4-piperazin-2-yl-piperazine-1-carboxylate Openeye Name: benzyl 3-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]-4-piperazin-2-yl-piperazine-1-carboxylate CAS Name: 3-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxopentyl]-4-(2-piperazinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]-4-piperazin-2-ylpiperazine-1-carboxylate Traditional Name: 3-[3-methyl-2-(phenylalanylamino)pentanoyl]-4-piperazin-2-yl-piperazine-1-carboxylic acid benzyl ester Formula: C31H44N6O4 MolecularWeight: 564.71886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1CN(CCN1C2CNCCN2)C(=O)OCC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCC(C)C(C(=O)C1CN(CCN1C2CNCCN2)C(=O)OCC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C31H44N6O4/c1-3-22(2)28(35-30(39)25(32)18-23-10-6-4-7-11-23)29(38)26-20-36(16-17-37(26)27-19-33-14-15-34-27)31(40)41-21-24-12-8-5-9-13-24/h4-13,22,25-28,33-34H,3,14-21,32H2,1-2H3,(H,35,39)