CCOC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(C)C)c1ccccc1

Nombre: N-benzyloxycarbonyl-β-benzyl-L-aspartyl-D-valine (R)-α-ethoxymethylbenzylamide

IUPAC: (3S)-2-benzyl-4-[[(2R)-1-[[(1R)-2-ethoxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

SMILES: CCOC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(C)C)c1ccccc1

Canonical SMILES: CCOCC(C1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(C(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Fórmula molecular: C34H41N3O7

Masa molecular: 603.70

InChIKey: SMZXWTDFYMJAIL-ZGISXQDKSA-N

InChI:

InChI=1S/C34H41N3O7/c1-4-43-22-28(26-18-12-7-13-19-26)35-31(38)29(23(2)3)36-32(39)30(27(33(40)41)20-24-14-8-5-9-15-24)37-34(42)44-21-25-16-10-6-11-17-25/h5-19,23,27-30H,4,20-22H2,1-3H3,(H,35,38)(H,36,39)(H,37,42)(H,40,41)/t27?,28-,29+,30-/m0/s1

PubChem CID: 54314208 →

Sinónimos

SMZXWTDFYMJAIL-ZGISXQDKSA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-valine (R)-alpha-ethoxymethylbenzylamide

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