COC[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-methoxymethylbenzylamide

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

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

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

Fórmula molecular: C33H39N3O7

Masa molecular: 589.70

InChIKey: HNJWLZQZGGLLPV-SBIMLLMBSA-N

InChI:

InChI=1S/C33H39N3O7/c1-22(2)28(30(37)34-27(21-42-3)25-17-11-6-12-18-25)35-31(38)29(26(32(39)40)19-23-13-7-4-8-14-23)36-33(41)43-20-24-15-9-5-10-16-24/h4-18,22,26-29H,19-21H2,1-3H3,(H,34,37)(H,35,38)(H,36,41)(H,39,40)/t26?,27-,28+,29-/m0/s1

PubChem CID: 53886295 →

Sinónimos

HNJWLZQZGGLLPV-SBIMLLMBSA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-valine (R)-alpha-methoxymethylbenzylamide

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