(2S)-2-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-3-phenyl-propionate Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C27H29N3O3/c31-26(32)24(20-21-10-4-1-5-11-21)28-27(33)30-18-16-29(17-19-30)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,28,33)(H,31,32)/t24-/m0/s1