bis(2-azanylethyl)-[(4S)-4-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-phenylazanyl-4-quinolin-3-yl-butan-2-yl]amino]pentyl]-methyl-azanium

Systemtic Name: bis(2-azanylethyl)-[(4S)-4-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-phenylazanyl-4-quinolin-3-yl-butan-2-yl]amino]pentyl]-methyl-azanium Openeye Name: bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(1S)-1-(phenylcarbamoyl)-3-(3-quinolyl)propyl]amino]pentyl]-methyl-ammonium CAS Name: [(4S)-4-amino-5-[[(2S)-1-anilino-1-oxo-4-(3-quinolinyl)butan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylammonium IUPAC Name: [(4S)-4-amino-5-[[(2S)-1-anilino-1-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium Traditional Name: bis(2-aminoethyl)-[(4S)-4-amino-5-keto-5-[[(1S)-1-(phenylcarbamoyl)-3-(3-quinolyl)propyl]amino]pentyl]-methyl-ammonium Formula: C29H42N7O2+ MolecularWeight: 520.68948

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCC(C(=O)NC(CCC1=CC2=CC=CC=C2N=C1)C(=O)NC3=CC=CC=C3)N)(CCN)CCN

Isomeric SMILES

C[N+](CCC[C@@H](C(=O)N[C@@H](CCC1=CC2=CC=CC=C2N=C1)C(=O)NC3=CC=CC=C3)N)(CCN)CCN

InChI

InChI=1S/C29H41N7O2/c1-36(18-15-30,19-16-31)17-7-11-25(32)28(37)35-27(29(38)34-24-9-3-2-4-10-24)14-13-22-20-23-8-5-6-12-26(23)33-21-22/h2-6,8-10,12,20-21,25,27H,7,11,13-19,30-32H2,1H3,(H-,34,35,37,38)/p+1/t25-,27-/m0/s1