(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(3-docosoxypropylsulfanyl)-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-(3-docosoxypropylsulfanyl)-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-(3-docosoxypropylsulfanyl)-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-(3-docosoxypropylthio)-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-(3-docosoxypropylsulfanyl)-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-(3-behenyloxypropylthio)-2-(2,2,2-trichloroethoxycarbonylamino)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butyric acid Formula: C41H74Cl3N5O11S MolecularWeight: 951.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOCCCSCC(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

CCCCCCCCCCCCCCCCCCCCCCOCCCSC[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/C41H74Cl3N5O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-59-24-22-25-61-29-34(49-40(58)60-30-41(42,43)44)38(55)48-33(28-51)37(54)47-32(27-50)36(53)46-31(39(56)57)26-35(45)52/h31-34,50-51H,2-30H2,1H3,(H2,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,58)(H,56,57)/t31-,32-,33-,34-/m0/s1