tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-1-[[(1S)-2-(benzylamino)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-(7-bromo-1H-indol-3-yl)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(benzylamino)-3-(7-bromo-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-benzoxybenzyl)-2-[[(1S)-1-[[(1S)-2-(benzylamino)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C45H52BrN5O6 MolecularWeight: 838.82828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=C1C=CC=C2Br)C(=O)NCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)NCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C45H52BrN5O6/c1-29(2)23-37(42(53)50-39(41(52)48-26-31-13-8-6-9-14-31)25-33-27-47-40-35(33)17-12-18-36(40)46)49-43(54)38(51-44(55)57-45(3,4)5)24-30-19-21-34(22-20-30)56-28-32-15-10-7-11-16-32/h6-22,27,29,37-39,47H,23-26,28H2,1-5H3,(H,48,52)(H,49,54)(H,50,53)(H,51,55)/t37-,38-,39-/m0/s1