2-[[(2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium Formula: C27H35N6O3+ MolecularWeight: 491.6052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H34N6O3/c1-31(2)13-12-28-25(34)24(18-20-8-4-3-5-9-20)30-27(36)33-16-14-32(15-17-33)26(35)22-19-29-23-11-7-6-10-21(22)23/h3-11,19,24,29H,12-18H2,1-2H3,(H,28,34)(H,30,36)/p+1/t24-/m0/s1