16-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]hexadecyl 5-azanylpent-4-ynoate

Systemtic Name: 16-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]hexadecyl 5-azanylpent-4-ynoate Openeye Name: 16-[[2-(benzylcarbamoylamino)benzoyl]amino]hexadecyl 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid 16-[[oxo-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]hexadecyl ester IUPAC Name: 16-[[2-(benzylcarbamoylamino)benzoyl]amino]hexadecyl 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid 16-[[2-(benzylcarbamoylamino)benzoyl]amino]hexadecyl ester Formula: C36H52N4O4 MolecularWeight: 604.82248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)NCCCCCCCCCCCCCCCCOC(=O)CCC#CN

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)NCCCCCCCCCCCCCCCCOC(=O)CCC#CN

InChI

InChI=1S/C36H52N4O4/c37-27-19-18-26-34(41)44-29-21-12-10-8-6-4-2-1-3-5-7-9-11-20-28-38-35(42)32-24-16-17-25-33(32)40-36(43)39-30-31-22-14-13-15-23-31/h13-17,22-25H,1-12,18,20-21,26,28-30,37H2,(H,38,42)(H2,39,40,43)