ethyl (4S)-5-[[(2S)-1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl (4S)-5-[[(2S)-1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-2-ethoxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl (4S)-5-[[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-2-ethoxy-2-keto-1-methylol-ethyl]amino]-5-keto-valeric acid ethyl ester Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NC(CO)C(=O)OCC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)N[C@@H](CO)C(=O)OCC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H28N2O8/c1-3-28-17(24)11-10-15(18(25)21-16(12-23)19(26)29-4-2)22-20(27)30-13-14-8-6-5-7-9-14/h5-9,15-16,23H,3-4,10-13H2,1-2H3,(H,21,25)(H,22,27)/t15-,16-/m0/s1