(phenylmethyl) (2S)-2-[2-bis[4-(2-benzamidoethanoylamino)phenyl]phosphorylpyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[2-bis[4-(2-benzamidoethanoylamino)phenyl]phosphorylpyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[2-bis[4-[(2-benzamidoacetyl)amino]phenyl]phosphorylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[2-bis[4-[(2-benzamido-1-oxoethyl)amino]phenyl]phosphoryl-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[2-bis[4-[(2-benzamidoacetyl)amino]phenyl]phosphorylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[2-bis[4-(hippuroylamino)phenyl]phosphorylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C47H47N6O8P MolecularWeight: 854.885241

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CCCC3P(=O)(C4=CC=C(C=C4)NC(=O)CNC(=O)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)CNC(=O)C7=CC=CC=C7

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CCCC3P(=O)(C4=CC=C(C=C4)NC(=O)CNC(=O)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)CNC(=O)C7=CC=CC=C7

InChI

InChI=1S/C47H47N6O8P/c54-41(30-48-44(56)34-14-6-2-7-15-34)50-36-20-24-38(25-21-36)62(60,39-26-22-37(23-27-39)51-42(55)31-49-45(57)35-16-8-3-9-17-35)43-19-11-29-53(43)46(58)40-18-10-28-52(40)47(59)61-32-33-12-4-1-5-13-33/h1-9,12-17,20-27,40,43H,10-11,18-19,28-32H2,(H,48,56)(H,49,57)(H,50,54)(H,51,55)/t40-,43?/m0/s1