(2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-piperazin-4-ium-2-carboxamide

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-piperazin-4-ium-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(cyclohexanecarbonyl)piperazin-4-ium-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[cyclohexyl(oxo)methyl]-2-piperazin-4-iumcarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(cyclohexanecarbonyl)piperazin-4-ium-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(cyclohexanecarbonyl)piperazin-4-ium-2-carboxamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CC[NH2+]CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[NH2+]C[C@@H]2C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C23H31N5O3/c24-21(29)19(12-16-13-26-18-9-5-4-8-17(16)18)27-22(30)20-14-25-10-11-28(20)23(31)15-6-2-1-3-7-15/h4-5,8-9,13,15,19-20,25-26H,1-3,6-7,10-12,14H2,(H2,24,29)(H,27,30)/p+1/t19-,20-/m1/s1