(2S,3R)-4-ethoxy-3-[(4-methoxyphenyl)amino]-4-oxidanylidene-2-[[phenyl-[2-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]phenyl]methylidene]amino]butanoic acid

Systemtic Name: (2S,3R)-4-ethoxy-3-[(4-methoxyphenyl)amino]-4-oxidanylidene-2-[[phenyl-[2-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]phenyl]methylidene]amino]butanoic acid Openeye Name: (2S,3R)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenyl-methylene]amino]-4-ethoxy-3-(4-methoxyanilino)-4-oxo-butanoic acid CAS Name: (2S,3R)-4-ethoxy-3-(4-methoxyanilino)-4-oxo-2-[[[2-[[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]amino]phenyl]-phenylmethylidene]amino]butanoic acid IUPAC Name: (2S,3R)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-4-ethoxy-3-(4-methoxyanilino)-4-oxobutanoic acid Traditional Name: (2S,3R)-2-[[[2-[[(2S)-1-benzylprolyl]amino]phenyl]-phenyl-methylene]amino]-4-ethoxy-4-keto-3-(p-anisidino)butyric acid Formula: C38H40N4O6 MolecularWeight: 648.7474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)C3CCCN3CC4=CC=CC=C4)NC5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)[C@@H]3CCCN3CC4=CC=CC=C4)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C38H40N4O6/c1-3-48-38(46)35(39-28-20-22-29(47-2)23-21-28)34(37(44)45)41-33(27-15-8-5-9-16-27)30-17-10-11-18-31(30)40-36(43)32-19-12-24-42(32)25-26-13-6-4-7-14-26/h4-11,13-18,20-23,32,34-35,39H,3,12,19,24-25H2,1-2H3,(H,40,43)(H,44,45)/t32-,34-,35+/m0/s1