2-[(2S)-2-azanylpropanoyl]-2-ethanoyl-3-oxidanyl-5-oxidanylidene-5-[(2S)-5-oxidanylidenepyrrolidin-2-yl]-3-pyridin-2-yl-4-(trimethylazaniumyl)pentanoate

Systemtic Name: 2-[(2S)-2-azanylpropanoyl]-2-ethanoyl-3-oxidanyl-5-oxidanylidene-5-[(2S)-5-oxidanylidenepyrrolidin-2-yl]-3-pyridin-2-yl-4-(trimethylazaniumyl)pentanoate Openeye Name: 2-acetyl-2-[(2S)-2-aminopropanoyl]-3-hydroxy-5-oxo-5-[(2S)-5-oxopyrrolidin-2-yl]-3-(2-pyridyl)-4-(trimethylammonio)pentanoate CAS Name: 2-acetyl-2-[(2S)-2-amino-1-oxopropyl]-3-hydroxy-5-oxo-5-[(2S)-5-oxo-2-pyrrolidinyl]-3-(2-pyridinyl)-4-(trimethylammonio)pentanoate IUPAC Name: 2-acetyl-2-[(2S)-2-aminopropanoyl]-3-hydroxy-5-oxo-5-[(2S)-5-oxopyrrolidin-2-yl]-3-pyridin-2-yl-4-(trimethylazaniumyl)pentanoate Traditional Name: 2-acetyl-2-[(2S)-2-aminopropanoyl]-3-hydroxy-5-keto-5-[(2S)-5-ketopyrrolidin-2-yl]-3-(2-pyridyl)-4-(trimethylammonio)valerate Formula: C22H30N4O7 MolecularWeight: 462.4962

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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)/t12-,14-,18?,21?,22?/m0/s1