(2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-(2-methoxyethanoyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-(2-methoxyethanoyl)piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(4-dimethylaminophenyl)-oxomethyl]-1-(2-methoxy-1-oxoethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(2-methoxyacetyl)piperazine-2-carboxamide Formula: C26H39N5O5 MolecularWeight: 501.61836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)C(=O)COC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@@H](C2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N)C(=O)COC

InChI

InChI=1S/C26H39N5O5/c1-29(2)20-11-9-19(10-12-20)26(35)30-13-14-31(23(32)17-36-3)22(16-30)25(34)28-21(24(27)33)15-18-7-5-4-6-8-18/h9-12,18,21-22H,4-8,13-17H2,1-3H3,(H2,27,33)(H,28,34)/t21-,22-/m0/s1