(3S)-2-[3-(2-phenylethanoylamino)propanoyl]-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: (3S)-2-[3-(2-phenylethanoylamino)propanoyl]-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylic acid Openeye Name: (3S)-1-benzyloxycarbonyl-2-[3-[(2-phenylacetyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid CAS Name: (3S)-2-[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]-1-phenylmethoxycarbonyl-3-diazinanecarboxylic acid IUPAC Name: (3S)-2-[3-[(2-phenylacetyl)amino]propanoyl]-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid Traditional Name: (3S)-1-carbobenzoxy-2-[3-[(2-phenylacetyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CCNC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CCNC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H27N3O6/c28-21(16-18-8-3-1-4-9-18)25-14-13-22(29)27-20(23(30)31)12-7-15-26(27)24(32)33-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,25,28)(H,30,31)/t20-/m0/s1