[(2S)-1-[[(2S)-6-azaniumyl-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(2S)-6-azaniumyl-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(5S)-6-amino-5-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxo-hexyl]ammonium CAS Name: [(5S)-6-amino-5-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxohexyl]ammonium IUPAC Name: [(5S)-6-amino-5-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxohexyl]azanium Traditional Name: [(5S)-6-amino-5-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-6-keto-hexyl]ammonium Formula: C15H26N4O3+2 MolecularWeight: 310.39194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCCC[NH3+])C(=O)N)[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N)[NH3+])O

InChI

InChI=1S/C15H24N4O3/c16-8-2-1-3-13(14(18)21)19-15(22)12(17)9-10-4-6-11(20)7-5-10/h4-7,12-13,20H,1-3,8-9,16-17H2,(H2,18,21)(H,19,22)/p+2/t12-,13-/m0/s1