2,2,2-tris(chloranyl)ethyl (2R)-2-[[(2S)-2-[[(E)-3-[4-(methoxymethoxy)phenyl]-2-[methyl-[(2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (2R)-2-[[(2S)-2-[[(E)-3-[4-(methoxymethoxy)phenyl]-2-[methyl-[(2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: 2,2,2-trichloroethyl (2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]-methyl-amino]-3-[4-(methoxymethoxy)phenyl]prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-methylamino]-3-[4-(methoxymethoxy)phenyl]-1-oxoprop-2-enyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]-methylamino]-3-[4-(methoxymethoxy)phenyl]prop-2-enoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]-methyl-amino]-3-[4-(methoxymethoxy)phenyl]acryloyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid 2,2,2-trichloroethyl ester Formula: C41H49Cl3N4O10 MolecularWeight: 864.20756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC(Cl)(Cl)Cl)NC(=O)C(=CC2=CC=C(C=C2)OCOC)N(C)C(=O)C(C(C)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@@H](C(=O)N(C)/C(=C/C1=CC=C(C=C1)OCOC)/C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C41H49Cl3N4O10/c1-26(2)20-32(36(50)46-33(21-28-12-8-6-9-13-28)39(53)57-24-41(42,43)44)45-37(51)34(22-29-16-18-31(19-17-29)58-25-55-5)48(4)38(52)35(27(3)49)47-40(54)56-23-30-14-10-7-11-15-30/h6-19,22,26-27,32-33,35,49H,20-21,23-25H2,1-5H3,(H,45,51)(H,46,50)(H,47,54)/b34-22+/t27-,32+,33-,35+/m1/s1