(phenylmethyl) 2-[2-[(2-azanyl-3-methyl-pentanoyl)-(phenylmethyl)carbamoyl]-1-methyl-pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[(2-azanyl-3-methyl-pentanoyl)-(phenylmethyl)carbamoyl]-1-methyl-pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: benzyl 2-[2-[(2-amino-3-methyl-pentanoyl)-benzyl-carbamoyl]-1-methyl-pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[2-[[(2-amino-3-methyl-1-oxopentyl)-(phenylmethyl)amino]-oxomethyl]-1-methyl-1-pyrrolidin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(2-amino-3-methylpentanoyl)-benzylcarbamoyl]-1-methylpyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[2-[(2-amino-3-methyl-pentanoyl)-benzyl-carbamoyl]-1-methyl-pyrrolidin-1-ium-1-yl]acetic acid benzyl ester Formula: C28H38N3O4+ MolecularWeight: 480.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(=O)C2CCC[N+]2(C)CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(=O)C2CCC[N+]2(C)CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C28H38N3O4/c1-4-21(2)26(29)28(34)30(18-22-12-7-5-8-13-22)27(33)24-16-11-17-31(24,3)19-25(32)35-20-23-14-9-6-10-15-23/h5-10,12-15,21,24,26H,4,11,16-20,29H2,1-3H3/q+1