(2S)-1-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-3,5-ditritio-phenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-3,5-ditritio-phenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-3,5-ditritio-phenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-3,5-ditritiophenyl)-1-oxopropyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-3,5-ditritiophenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-3,5-ditritio-phenyl)propanoyl]pyrrolidine-2-carboxamide Formula: C34H41N5O5 MolecularWeight: 603.736059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)N)N)C)O

Isomeric SMILES

[3H]C1=C(C(=C(C(=C1O)[3H])C)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)N)C

InChI

InChI=1S/C34H41N5O5/c1-21-16-25(40)17-22(2)26(21)20-27(35)34(44)39-15-9-14-30(39)33(43)38-29(19-24-12-7-4-8-13-24)32(42)37-28(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1/i16T,17T