tert-butyl (2S)-2-[[(2R)-1-[(2R,4R)-2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-1-[(2R,4R)-2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1R)-1-benzyl-2-[(2R,4R)-2-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethylcarbamoyl]-4-(2-naphthylmethoxy)pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: (2S)-2-[[[(2R)-1-[(2R,4R)-2-[[2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]ethylamino]-oxomethyl]-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-1-[(2R,4R)-2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: (2S)-2-[[(1R)-1-benzyl-2-[(2R,4R)-2-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethylcarbamoyl]-4-(2-naphthylmethoxy)pyrrolidino]-2-keto-ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C49H67N7O10 MolecularWeight: 914.09718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCNC(=O)C1CC(CN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCN3C(=O)OC(C)(C)C)OCC4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCNC(=O)[C@H]1C[C@H](CN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)OCC4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C49H67N7O10/c1-47(2,3)64-44(60)53-43(54-45(61)65-48(4,5)6)51-25-24-50-40(57)39-29-36(63-31-33-22-23-34-19-13-14-20-35(34)27-33)30-56(39)42(59)37(28-32-17-11-10-12-18-32)52-41(58)38-21-15-16-26-55(38)46(62)66-49(7,8)9/h10-14,17-20,22-23,27,36-39H,15-16,21,24-26,28-31H2,1-9H3,(H,50,57)(H,52,58)(H2,51,53,54,60,61)/t36-,37-,38+,39-/m1/s1