1-[[(2S)-2-[2-(ethylamino)ethanoylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[(2S)-2-[2-(ethylamino)ethanoylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[(2S)-4-benzyloxy-2-[[2-(ethylamino)acetyl]amino]-4-oxo-butanoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[(2S)-2-[[2-(ethylamino)-1-oxoethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(2S)-2-[[2-(ethylamino)acetyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(2S)-4-benzoxy-2-[[2-(ethylamino)acetyl]amino]-4-keto-butanoyl]amino]cyclohexanecarboxylic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

CCNCC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C22H31N3O6/c1-2-23-14-18(26)24-17(13-19(27)31-15-16-9-5-3-6-10-16)20(28)25-22(21(29)30)11-7-4-8-12-22/h3,5-6,9-10,17,23H,2,4,7-8,11-15H2,1H3,(H,24,26)(H,25,28)(H,29,30)/t17-/m0/s1