[(5S)-6-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [(5S)-6-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]azanium Openeye Name: [(5S)-5-(tert-butoxycarbonylamino)-6-[(4-methyl-2-oxo-chromen-7-yl)amino]-6-oxo-hexyl]ammonium CAS Name: [(5S)-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]ammonium IUPAC Name: [(5S)-6-[(4-methyl-2-oxochromen-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]azanium Traditional Name: [(5S)-5-(tert-butoxycarbonylamino)-6-keto-6-[(2-keto-4-methyl-chromen-7-yl)amino]hexyl]ammonium Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCC[NH3+])NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCC[NH3+])NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O5/c1-13-11-18(25)28-17-12-14(8-9-15(13)17)23-19(26)16(7-5-6-10-22)24-20(27)29-21(2,3)4/h8-9,11-12,16H,5-7,10,22H2,1-4H3,(H,23,26)(H,24,27)/p+1/t16-/m0/s1