(3S)-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (3S)-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-3-(benzyloxycarbonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (3S)-4-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-3-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c24-18(25)12-16(23-21(29)30-13-15-9-5-2-6-10-15)19(26)22-17(20(27)28)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,22,26)(H,23,29)(H,24,25)(H,27,28)/t16-,17-/m0/s1