(phenylmethyl) (3S)-4-(2-cyclohexylethylamino)-3-[2-(ethylamino)ethanoylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-(2-cyclohexylethylamino)-3-[2-(ethylamino)ethanoylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-(2-cyclohexylethylamino)-3-[[2-(ethylamino)acetyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-(2-cyclohexylethylamino)-3-[[2-(ethylamino)-1-oxoethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-(2-cyclohexylethylamino)-3-[[2-(ethylamino)acetyl]amino]-4-oxobutanoate Traditional Name: (3S)-4-(2-cyclohexylethylamino)-3-[[2-(ethylamino)acetyl]amino]-4-keto-butyric acid benzyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NCCC2CCCCC2

Isomeric SMILES

CCNCC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)NCCC2CCCCC2

InChI

InChI=1S/C23H35N3O4/c1-2-24-16-21(27)26-20(15-22(28)30-17-19-11-7-4-8-12-19)23(29)25-14-13-18-9-5-3-6-10-18/h4,7-8,11-12,18,20,24H,2-3,5-6,9-10,13-17H2,1H3,(H,25,29)(H,26,27)/t20-/m0/s1