[(2S,4R)-1-[(E,4R)-4-azaniumyl-5-sulfanyl-pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-yl]carbonyl-[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S,4R)-1-[(E,4R)-4-azaniumyl-5-sulfanyl-pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-yl]carbonyl-[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2S,4R)-1-[(E,4R)-4-azaniumyl-5-sulfanyl-pent-2-enyl]-4-[2-(4-isopropylphenyl)ethyl]pyrrolidine-2-carbonyl]-[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [[(2S,4R)-1-[(E,4R)-4-ammonio-5-mercaptopent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]-2-pyrrolidinyl]-oxomethyl]-[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S,4R)-1-[(E,4R)-4-azaniumyl-5-sulfanylpent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carbonyl]-[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(2S,4R)-1-[(E,4R)-4-ammonio-5-mercapto-pent-2-enyl]-4-(2-p-cumenylethyl)prolyl]-[(1S)-1-carbomethoxy-3-(methylthio)propyl]ammonium; 2,2,2-trifluoroacetate Formula: C31H45F6N3O7S2 MolecularWeight: 749.825319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCC2CC(N(C2)CC=CC(CS)[NH3+])C(=O)[NH2+]C(CCSC)C(=O)OC.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC[C@@H]2C[C@H](N(C2)C/C=C/[C@H](CS)[NH3+])C(=O)[NH2+][C@@H](CCSC)C(=O)OC.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H43N3O3S2.2C2HF3O2/c1-19(2)22-11-9-20(10-12-22)7-8-21-16-25(30(17-21)14-5-6-23(28)18-34)26(31)29-24(13-15-35-4)27(32)33-3;2*3-2(4,5)1(6)7/h5-6,9-12,19,21,23-25,34H,7-8,13-18,28H2,1-4H3,(H,29,31);2*(H,6,7)/b6-5+;;/t21-,23-,24+,25+;;/m1../s1