[(6S)-6-azanyl-4-carboxy-4-ethanoyl-3-oxidanyl-1,5-bis(oxidanylidene)-1-[(2S)-5-oxidanylidenepyrrolidin-2-yl]-3-pyridin-2-yl-heptan-2-yl]-trimethyl-azanium

Systemtic Name: [(6S)-6-azanyl-4-carboxy-4-ethanoyl-3-oxidanyl-1,5-bis(oxidanylidene)-1-[(2S)-5-oxidanylidenepyrrolidin-2-yl]-3-pyridin-2-yl-heptan-2-yl]-trimethyl-azanium Openeye Name: [(5S)-3-acetyl-5-amino-3-carboxy-2-hydroxy-4-oxo-1-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-(2-pyridyl)hexyl]-trimethyl-ammonium CAS Name: [(6S)-4-acetyl-6-amino-4-carboxy-3-hydroxy-1,5-dioxo-1-[(2S)-5-oxo-2-pyrrolidinyl]-3-(2-pyridinyl)heptan-2-yl]-trimethylammonium IUPAC Name: [(6S)-4-acetyl-6-amino-4-carboxy-3-hydroxy-1,5-dioxo-1-[(2S)-5-oxopyrrolidin-2-yl]-3-pyridin-2-ylheptan-2-yl]-trimethylazanium Traditional Name: [(5S)-3-acetyl-5-amino-3-carboxy-2-hydroxy-4-keto-1-[(2S)-5-ketoprolyl]-2-(2-pyridyl)hexyl]-trimethyl-ammonium Formula: C22H31N4O7+ MolecularWeight: 463.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(=O)C)(C(=O)O)C(C1=CC=CC=N1)(C(C(=O)C2CCC(=O)N2)[N+](C)(C)C)O)N

Isomeric SMILES

C[C@@H](C(=O)C(C(=O)C)(C(=O)O)C(C1=CC=CC=N1)(C(C(=O)[C@@H]2CCC(=O)N2)[N+](C)(C)C)O)N

InChI

InChI=1S/C22H30N4O7/c1-12(23)19(30)21(13(2)27,20(31)32)22(33,15-8-6-7-11-24-15)18(26(3,4)5)17(29)14-9-10-16(28)25-14/h6-8,11-12,14,18,33H,9-10,23H2,1-5H3,(H-,25,28,31,32)/p+1/t12-,14-,18?,21?,22?/m0/s1