[(5S)-5-acetamido-6-[[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [(5S)-5-acetamido-6-[[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexyl]azanium Openeye Name: [(5S)-5-acetamido-6-[[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]amino]-6-oxo-hexyl]ammonium CAS Name: [(5S)-5-acetamido-6-[[(2S)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]ammonium IUPAC Name: [(5S)-5-acetamido-6-[[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]azanium Traditional Name: [(5S)-5-acetamido-6-keto-6-[[(1S)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]amino]hexyl]ammonium Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCC[NH3+])NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CCCC[NH3+])NC(=O)C

InChI

InChI=1S/C21H28N4O3/c1-14(23-21(28)19(24-15(2)26)9-5-6-12-22)20(27)25-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13-14,19H,5-6,9,12,22H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/p+1/t14-,19-/m0/s1