(phenylmethyl) (4S)-4-[[(3S)-3-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanylidene-6-[[(2R)-4-oxidanylidene-1-phenylmethoxy-4-[2,2,2-tris(chloranyl)ethoxy]butan-2-yl]amino]hexanoate

Systemtic Name: (phenylmethyl) (4S)-4-[[(3S)-3-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanylidene-6-[[(2R)-4-oxidanylidene-1-phenylmethoxy-4-[2,2,2-tris(chloranyl)ethoxy]butan-2-yl]amino]hexanoate Openeye Name: benzyl (4S)-4-[[(3S)-3-amino-4-benzyloxy-4-oxo-butanoyl]amino]-6-[[(1R)-1-(benzyloxymethyl)-3-oxo-3-(2,2,2-trichloroethoxy)propyl]amino]-6-oxo-hexanoate CAS Name: (4S)-4-[[(3S)-3-amino-1,4-dioxo-4-phenylmethoxybutyl]amino]-6-oxo-6-[[(2R)-4-oxo-1-phenylmethoxy-4-(2,2,2-trichloroethoxy)butan-2-yl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-[[(3S)-3-amino-4-oxo-4-phenylmethoxybutanoyl]amino]-6-oxo-6-[[(2R)-4-oxo-1-phenylmethoxy-4-(2,2,2-trichloroethoxy)butan-2-yl]amino]hexanoate Traditional Name: (4S)-4-[[(3S)-3-amino-4-benzoxy-4-keto-butanoyl]amino]-6-[[(1R)-1-(benzoxymethyl)-3-keto-3-(2,2,2-trichloroethoxy)propyl]amino]-6-keto-hexanoic acid benzyl ester Formula: C37H42Cl3N3O9 MolecularWeight: 779.10308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CC(=O)OCC(Cl)(Cl)Cl)NC(=O)CC(CCC(=O)OCC2=CC=CC=C2)NC(=O)CC(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](CC(=O)OCC(Cl)(Cl)Cl)NC(=O)C[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)C[C@@H](C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C37H42Cl3N3O9/c38-37(39,40)25-52-35(47)19-30(24-49-21-26-10-4-1-5-11-26)43-32(44)18-29(16-17-34(46)50-22-27-12-6-2-7-13-27)42-33(45)20-31(41)36(48)51-23-28-14-8-3-9-15-28/h1-15,29-31H,16-25,41H2,(H,42,45)(H,43,44)/t29-,30+,31-/m0/s1