(phenylmethyl) (2R)-1-[(2S)-2-azanyl-3-oxidanyl-propanoyl]-2-tert-butyl-2-[(4-carbamimidoyl-2-methoxy-phenyl)methylcarbamoyl]pyrrolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (2R)-1-[(2S)-2-azanyl-3-oxidanyl-propanoyl]-2-tert-butyl-2-[(4-carbamimidoyl-2-methoxy-phenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: benzyl (2R)-1-[(2S)-2-amino-3-hydroxy-propanoyl]-2-tert-butyl-2-[(4-carbamimidoyl-2-methoxy-phenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: (2R)-1-[(2S)-2-amino-3-hydroxy-1-oxopropyl]-2-tert-butyl-2-[[(4-carbamimidoyl-2-methoxyphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-2-tert-butyl-2-[(4-carbamimidoyl-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: (2R)-2-[(4-amidino-2-methoxy-benzyl)carbamoyl]-1-[(2S)-2-amino-3-hydroxy-propanoyl]-2-tert-butyl-pyrrolidine-3-carboxylic acid benzyl ester Formula: C29H39N5O6 MolecularWeight: 553.64986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C(CCN1C(=O)C(CO)N)C(=O)OCC2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)C(=N)N)OC

Isomeric SMILES

CC(C)(C)[C@]1(C(CCN1C(=O)[C@H](CO)N)C(=O)OCC2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)C(=N)N)OC

InChI

InChI=1S/C29H39N5O6/c1-28(2,3)29(27(38)33-15-20-11-10-19(24(31)32)14-23(20)39-4)21(12-13-34(29)25(36)22(30)16-35)26(37)40-17-18-8-6-5-7-9-18/h5-11,14,21-22,35H,12-13,15-17,30H2,1-4H3,(H3,31,32)(H,33,38)/t21?,22-,29-/m0/s1