disodium (2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: disodium (2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylate Openeye Name: disodium (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxylato-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-2-carboxylate CAS Name: disodium (2S)-1-[(2S)-6-amino-2-[[(2S)-1-oxido-1-oxo-4-phenylbutan-2-yl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylate IUPAC Name: disodium (2S)-1-[(2S)-6-amino-2-[[(2S)-1-oxido-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylate Traditional Name: disodium (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxylato-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-2-carboxylate Formula: C21H29N3Na2O5 MolecularWeight: 449.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H31N3O5.2Na/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);;/q;2*+1/p-2/t16-,17-,18-;;/m0../s1