2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-1-methyl-pyrrolidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-1-methyl-pyrrolidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-formyl-1-methyl-pyrrolidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]-2-formyl-1-methyl-1-pyrrolidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]-2-formyl-1-methylpyrrolidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-formyl-1-methyl-2-[3-phenyl-2-(phenylalanylamino)propanoyl]pyrrolidin-1-ium-1-yl]acetic acid Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1(C=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N)CC(=O)O

Isomeric SMILES

C[N+]1(CCCC1(C=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N)CC(=O)O

InChI

InChI=1S/C26H31N3O5/c1-29(17-23(31)32)14-8-13-26(29,18-30)24(33)22(16-20-11-6-3-7-12-20)28-25(34)21(27)15-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17,27H2,1H3,(H-,28,31,32,34)/p+1