(2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C31H40N7O4+ MolecularWeight: 574.6938

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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(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5CC[NH2+]CC5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@@H](C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5CC[NH2+]CC5

InChI

InChI=1S/C31H39N7O4/c1-36(2)23-9-7-20(8-10-23)30(41)37-15-16-38(31(42)21-11-13-33-14-12-21)27(19-37)29(40)35-26(28(32)39)17-22-18-34-25-6-4-3-5-24(22)25/h3-10,18,21,26-27,33-34H,11-17,19H2,1-2H3,(H2,32,39)(H,35,40)/p+1/t26-,27+/m1/s1