(2S)-6-azaniumyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]propanoyl]amino]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]propanoyl]amino]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoyl]amino]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]-3-phenylpropyl]amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoyl]amino]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoyl]amino]hexanoate Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCC[NH3+])C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C20H30N4O4/c21-11-5-4-9-16(20(27)28)23-19(26)17(13-14-7-2-1-3-8-14)24-18(25)15-10-6-12-22-15/h1-3,7-8,15-17,22H,4-6,9-13,21H2,(H,23,26)(H,24,25)(H,27,28)/p+1/t15-,16-,17-/m0/s1