5-azanyl-2-[2-azanylethanoyl(quinolin-3-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide

Systemtic Name: 5-azanyl-2-[2-azanylethanoyl(quinolin-3-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide Openeye Name: 5-amino-2-[(2-aminoacetyl)-(3-quinolylmethyl)amino]-N-(3-phenylpropyl)pentanamide CAS Name: 5-amino-2-[(2-amino-1-oxoethyl)-(3-quinolinylmethyl)amino]-N-(3-phenylpropyl)pentanamide IUPAC Name: 5-amino-2-[(2-aminoacetyl)-(quinolin-3-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide Traditional Name: 5-amino-2-[glycyl(3-quinolylmethyl)amino]-N-(3-phenylpropyl)valeramide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CCCN)N(CC2=CC3=CC=CC=C3N=C2)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C(CCCN)N(CC2=CC3=CC=CC=C3N=C2)C(=O)CN

InChI

InChI=1S/C26H33N5O2/c27-14-6-13-24(26(33)29-15-7-10-20-8-2-1-3-9-20)31(25(32)17-28)19-21-16-22-11-4-5-12-23(22)30-18-21/h1-5,8-9,11-12,16,18,24H,6-7,10,13-15,17,19,27-28H2,(H,29,33)