4-[(2-azanyl-4-methyl-3-oxidanyl-pentanoyl)-butyl-amino]-N,1-bis(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 4-[(2-azanyl-4-methyl-3-oxidanyl-pentanoyl)-butyl-amino]-N,1-bis(phenylmethyl)piperidine-4-carboxamide Openeye Name: 4-[(2-amino-3-hydroxy-4-methyl-pentanoyl)-butyl-amino]-N,1-dibenzyl-piperidine-4-carboxamide CAS Name: 4-[(2-amino-3-hydroxy-4-methyl-1-oxopentyl)-butylamino]-N,1-bis(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 4-[(2-amino-3-hydroxy-4-methylpentanoyl)-butylamino]-N,1-dibenzylpiperidine-4-carboxamide Traditional Name: 4-[(2-amino-3-hydroxy-4-methyl-pentanoyl)-butyl-amino]-N,1-dibenzyl-isonipecotamide Formula: C30H44N4O3 MolecularWeight: 508.69536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C(C(C(C)C)O)N)C1(CCN(CC1)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C(=O)C(C(C(C)C)O)N)C1(CCN(CC1)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C30H44N4O3/c1-4-5-18-34(28(36)26(31)27(35)23(2)3)30(29(37)32-21-24-12-8-6-9-13-24)16-19-33(20-17-30)22-25-14-10-7-11-15-25/h6-15,23,26-27,35H,4-5,16-22,31H2,1-3H3,(H,32,37)