(2S)-1-[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-ammonio-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-ammoniopropanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)[O-])[NH3+]

InChI

InChI=1S/C17H23N3O4/c1-11(18)15(21)19-13(10-12-6-3-2-4-7-12)16(22)20-9-5-8-14(20)17(23)24/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1