tert-butyl 2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-1-methyl-pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-1-methyl-pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-formyl-1-methyl-pyrrolidin-1-ium-1-yl]acetate 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 tert-butyl ester IUPAC Name: tert-butyl 2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]-2-formyl-1-methylpyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[2-formyl-1-methyl-2-[3-phenyl-2-(phenylalanylamino)propanoyl]pyrrolidin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C30H40N3O5+ MolecularWeight: 522.6557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O5/c1-29(2,3)38-26(35)20-33(4)17-11-16-30(33,21-34)27(36)25(19-23-14-9-6-10-15-23)32-28(37)24(31)18-22-12-7-5-8-13-22/h5-10,12-15,21,24-25H,11,16-20,31H2,1-4H3/p+1