bis(azanyl)methylidene-[(4S)-4-[(2R,5S)-5-[[(2S)-2-(butylsulfonylamino)-3-oxidanyl-3-oxidanylidene-propyl]carbamoyl]oxolan-2-yl]-4-(phenylmethoxycarbonylamino)butyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: bis(azanyl)methylidene-[(4S)-4-[(2R,5S)-5-[[(2S)-2-(butylsulfonylamino)-3-oxidanyl-3-oxidanylidene-propyl]carbamoyl]oxolan-2-yl]-4-(phenylmethoxycarbonylamino)butyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(4S)-4-(benzyloxycarbonylamino)-4-[(2R,5S)-5-[[(2S)-2-(butylsulfonylamino)-3-hydroxy-3-oxo-propyl]carbamoyl]tetrahydrofuran-2-yl]butyl]-(diaminomethylene)ammonium; 2,2,2-trifluoroacetate CAS Name: [(4S)-4-[(2R,5S)-5-[[[(2S)-2-(butylsulfonylamino)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-2-oxolanyl]-4-(phenylmethoxycarbonylamino)butyl]-(diaminomethylidene)ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(4S)-4-[(2R,5S)-5-[[(2S)-2-(butylsulfonylamino)-3-hydroxy-3-oxopropyl]carbamoyl]oxolan-2-yl]-4-(phenylmethoxycarbonylamino)butyl]-(diaminomethylidene)azanium; 2,2,2-trifluoroacetate Traditional Name: [(4S)-4-(benzyloxycarbonylamino)-4-[(2R,5S)-5-[[(2S)-2-(butylsulfonylamino)-3-hydroxy-3-keto-propyl]carbamoyl]tetrahydrofuran-2-yl]butyl]-(diaminomethylene)ammonium; 2,2,2-trifluoroacetate Formula: C27H41F3N6O10S MolecularWeight: 698.70885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)C1CCC(O1)C(CCC[NH+]=C(N)N)NC(=O)OCC2=CC=CC=C2)C(=O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CC[C@@H](O1)[C@H](CCC[NH+]=C(N)N)NC(=O)OCC2=CC=CC=C2)C(=O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C25H40N6O8S.C2HF3O2/c1-2-3-14-40(36,37)31-19(23(33)34)15-29-22(32)21-12-11-20(39-21)18(10-7-13-28-24(26)27)30-25(35)38-16-17-8-5-4-6-9-17;3-2(4,5)1(6)7/h4-6,8-9,18-21,31H,2-3,7,10-16H2,1H3,(H,29,32)(H,30,35)(H,33,34)(H4,26,27,28);(H,6,7)/t18-,19-,20+,21-;/m0./s1