[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2-phenylsulfanyl-pyrrolidin-1-yl)-3-phenyl-propan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2-phenylsulfanyl-pyrrolidin-1-yl)-3-phenyl-propan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-1-[[(1S)-2-[[(1S)-1-benzyl-2-oxo-2-(3-oxo-2-phenylsulfanyl-pyrrolidin-1-yl)ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[[(2S)-1-oxo-1-[3-oxo-2-(phenylthio)-1-pyrrolidinyl]-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[[(2S)-1-oxo-1-(3-oxo-2-phenylsulfanylpyrrolidin-1-yl)-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-[[(1S)-2-[[(1S)-1-benzyl-2-keto-2-[3-keto-2-(phenylthio)pyrrolidino]ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]ammonium; 2,2,2-trifluoroacetate Formula: C36H41F3N4O7S MolecularWeight: 730.79355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC(=O)C3SC4=CC=CC=C4)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC(=O)C3SC4=CC=CC=C4)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C34H40N4O5S.C2HF3O2/c1-22(2)19-27(35)31(41)36-28(20-24-13-15-25(39)16-14-24)32(42)37-29(21-23-9-5-3-6-10-23)33(43)38-18-17-30(40)34(38)44-26-11-7-4-8-12-26;3-2(4,5)1(6)7/h3-16,22,27-29,34,39H,17-21,35H2,1-2H3,(H,36,41)(H,37,42);(H,6,7)/t27-,28-,29-,34?;/m0./s1