1-[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-1-(phenylcarbonyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-1-(phenylcarbonyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]-1-benzoyl-pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]-1-benzoyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]-1-benzoylpyrrolidin-1-ium-2-carboxamide Traditional Name: 1-benzoyl-1-[2-(glycylamino)-3-phenyl-propanoyl]pyrrolidin-1-ium-2-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)CN)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)CN)C(=O)N

InChI

InChI=1S/C23H26N4O4/c24-15-20(28)26-18(14-16-8-3-1-4-9-16)23(31)27(13-7-12-19(27)21(25)29)22(30)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,24H2,(H2-,25,26,28,29)/p+1