(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(3S)-6-[bis(azanyl)methylideneamino]-1,1,1-tris(fluoranyl)-2-oxidanylidene-hexan-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(3S)-6-[bis(azanyl)methylideneamino]-1,1,1-tris(fluoranyl)-2-oxidanylidene-hexan-3-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(1S)-4-guanidino-1-(2,2,2-trifluoroacetyl)butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-N-[(3S)-6-(diaminomethylideneamino)-1,1,1-trifluoro-2-oxohexan-3-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(3S)-6-(diaminomethylideneamino)-1,1,1-trifluoro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(1S)-4-guanidino-1-(2,2,2-trifluoroacetyl)butyl]pyrrolidine-2-carboxamide Formula: C21H29F3N6O3 MolecularWeight: 470.48857

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(CCCN=C(N)N)C(=O)C(F)(F)F

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(F)(F)F

InChI

InChI=1S/C21H29F3N6O3/c22-21(23,24)17(31)15(8-4-10-28-20(26)27)29-18(32)16-9-5-11-30(16)19(33)14(25)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,25H2,(H,29,32)(H4,26,27,28)/t14-,15+,16+/m1/s1