(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(2-docosoxyethylsulfanyl)-2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(2-docosoxyethylsulfanyl)-2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(2-docosoxyethylsulfanyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(2-docosoxyethylthio)-1-oxo-2-[[oxo(2,2,2-trichloroethoxy)methyl]amino]propyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(2-docosoxyethylsulfanyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(2-behenyloxyethylthio)-2-(2,2,2-trichloroethoxycarbonylamino)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butyric acid Formula: C40H72Cl3N5O11S MolecularWeight: 937.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOCCSCC(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOCCSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C40H72Cl3N5O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-58-23-24-60-28-33(48-39(57)59-29-40(41,42)43)37(54)47-32(27-50)36(53)46-31(26-49)35(52)45-30(38(55)56)25-34(44)51/h30-33,49-50H,2-29H2,1H3,(H2,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,57)(H,55,56)/t30-,31-,32-,33-/m0/s1