(2S)-2-[[4-(2-azanylethanoyl)-3-methanoyl-5-phenylmethoxycarbonyl-phenyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[4-(2-azanylethanoyl)-3-methanoyl-5-phenylmethoxycarbonyl-phenyl]amino]propanoic acid Openeye Name: (2S)-2-[4-(2-aminoacetyl)-3-benzyloxycarbonyl-5-formyl-anilino]propanoic acid CAS Name: (2S)-2-[4-(2-amino-1-oxoethyl)-3-formyl-5-phenylmethoxycarbonylanilino]propanoic acid IUPAC Name: (2S)-2-[4-(2-aminoacetyl)-3-formyl-5-phenylmethoxycarbonylanilino]propanoic acid Traditional Name: (2S)-2-(3-carbobenzoxy-5-formyl-4-glycyl-anilino)propionic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC(=C(C(=C1)C=O)C(=O)CN)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC1=CC(=C(C(=C1)C=O)C(=O)CN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O6/c1-12(19(25)26)22-15-7-14(10-23)18(17(24)9-21)16(8-15)20(27)28-11-13-5-3-2-4-6-13/h2-8,10,12,22H,9,11,21H2,1H3,(H,25,26)/t12-/m0/s1