methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(1S,2R,3S,4R)-2-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-3-bicyclo[2.2.1]hept-5-enyl]carbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(1S,2R,3S,4R)-2-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-3-bicyclo[2.2.1]hept-5-enyl]carbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(1S,2R,3S,4R)-2-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[[(1S,2R,3S,4R)-2-[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(1S,2R,3S,4R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(1S,2R,3S,4R)-2-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carbonyl]prolyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C37H44N4O8 MolecularWeight: 672.76726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1C2CC(C1C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)OC)C=C2

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)C=C2

InChI

InChI=1S/C37H44N4O8/c1-22(36(46)48-2)38-34(44)30-25-16-17-26(21-25)31(30)35(45)41-18-10-15-29(41)33(43)39-27(19-23-11-6-4-7-12-23)32(42)40-28(37(47)49-3)20-24-13-8-5-9-14-24/h4-9,11-14,16-17,22,25-31H,10,15,18-21H2,1-3H3,(H,38,44)(H,39,43)(H,40,42)/t22-,25+,26-,27-,28-,29-,30+,31-/m0/s1