2-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-[[(1S)-1-benzyl-2-(carboxymethylamino)-2-oxo-ethyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid CAS Name: 2-[[(2S)-1-(carboxymethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[[(2S)-1-(carboxymethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-[[(1S)-1-benzyl-2-(carboxymethylamino)-2-keto-ethyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid Formula: C25H31N3O7 MolecularWeight: 485.52954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H31N3O7/c29-22(30)16-27-23(31)21(15-18-9-3-1-4-10-18)28-20(24(32)33)13-7-8-14-26-25(34)35-17-19-11-5-2-6-12-19/h1-6,9-12,20-21,28H,7-8,13-17H2,(H,26,34)(H,27,31)(H,29,30)(H,32,33)/t20?,21-/m0/s1