[(2S)-6-azaniumyl-1-[(2S)-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]azanium

Systemtic Name: [(2S)-6-azaniumyl-1-[(2S)-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]azanium Openeye Name: [(1S)-5-azaniumyl-1-[(2S)-2-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]pyrrolidine-1-carbonyl]pentyl]ammonium CAS Name: [(2S)-6-ammonio-1-[(2S)-2-[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-oxomethyl]-1-pyrrolidinyl]-1-oxohexan-2-yl]ammonium IUPAC Name: [(2S)-6-azaniumyl-1-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]azanium Traditional Name: [(5S)-5-ammonio-6-keto-6-[(2S)-2-[(2-keto-4-methyl-chromen-7-yl)carbamoyl]pyrrolidino]hexyl]ammonium Formula: C21H30N4O4+2 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CCCN3C(=O)C(CCCC[NH3+])[NH3+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCC[NH3+])[NH3+]

InChI

InChI=1S/C21H28N4O4/c1-13-11-19(26)29-18-12-14(7-8-15(13)18)24-20(27)17-6-4-10-25(17)21(28)16(23)5-2-3-9-22/h7-8,11-12,16-17H,2-6,9-10,22-23H2,1H3,(H,24,27)/p+2/t16-,17-/m0/s1