(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-[2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-[2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyethanoylamino]propanoic acid Openeye Name: (2S)-3-[[2-[(3R,5S)-1-benzyloxycarbonyl-5-[(2-pyridylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid CAS Name: (2S)-2-[[(2,6-dimethylanilino)-oxomethyl]amino]-3-[[1-oxo-2-[[(3R,5S)-1-phenylmethoxycarbonyl-5-[(2-pyridinylamino)methyl]-3-pyrrolidinyl]oxy]ethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-[[2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid Traditional Name: (2S)-3-[[2-[(3R,5S)-1-carbobenzoxy-5-[(2-pyridylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,6-dimethylphenyl)carbamoylamino]propionic acid Formula: C32H38N6O7 MolecularWeight: 618.68012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC(CNC(=O)COC2CC(N(C2)C(=O)OCC3=CC=CC=C3)CNC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@H](N(C2)C(=O)OCC3=CC=CC=C3)CNC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C32H38N6O7/c1-21-9-8-10-22(2)29(21)37-31(42)36-26(30(40)41)17-35-28(39)20-44-25-15-24(16-34-27-13-6-7-14-33-27)38(18-25)32(43)45-19-23-11-4-3-5-12-23/h3-14,24-26H,15-20H2,1-2H3,(H,33,34)(H,35,39)(H,40,41)(H2,36,37,42)/t24-,25+,26-/m0/s1