2-azanylethyl-[(4S)-4-azanyl-5-oxidanylidene-5-[[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]amino]pentyl]-dimethyl-azanium

Systemtic Name: 2-azanylethyl-[(4S)-4-azanyl-5-oxidanylidene-5-[[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]amino]pentyl]-dimethyl-azanium Openeye Name: 2-aminoethyl-[(4S)-4-amino-5-oxo-5-[[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]amino]pentyl]-dimethyl-ammonium CAS Name: 2-aminoethyl-[(4S)-4-amino-5-oxo-5-[[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]amino]pentyl]-dimethylammonium IUPAC Name: 2-aminoethyl-[(4S)-4-amino-5-oxo-5-[[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]amino]pentyl]-dimethylazanium Traditional Name: 2-aminoethyl-[(4S)-4-amino-5-keto-5-[[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]amino]pentyl]-dimethyl-ammonium Formula: C28H39N6O2+ MolecularWeight: 491.64826

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2)N)CCN

Isomeric SMILES

C[N+](C)(CCC[C@@H](C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2)N)CCN

InChI

InChI=1S/C28H38N6O2/c1-34(2,18-16-29)17-8-12-24(30)27(35)33-26(15-14-21-9-4-3-5-10-21)28(36)32-23-19-22-11-6-7-13-25(22)31-20-23/h3-7,9-11,13,19-20,24,26H,8,12,14-18,29-30H2,1-2H3,(H-,32,33,35,36)/p+1/t24-,26+/m0/s1