tert-butyl (3S)-3-[4-[(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-[(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[(1S)-1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[4-[(2S)-3-(7-carbamimidoyl-2-naphthalenyl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[4-[(1S)-1-[(7-amidino-2-naphthyl)methyl]-2-ethoxy-2-keto-ethyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H37N3O5 MolecularWeight: 531.64258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)O[C@H]4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H37N3O5/c1-5-37-29(35)27(17-20-6-7-21-8-9-23(28(32)33)18-24(21)16-20)22-10-12-25(13-11-22)38-26-14-15-34(19-26)30(36)39-31(2,3)4/h6-13,16,18,26-27H,5,14-15,17,19H2,1-4H3,(H3,32,33)/t26-,27-/m0/s1