tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]-1-oxidanylidene-propan-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]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-(benzylamino)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]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]-1-oxopropan-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]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-benzoxybenzyl)-2-[[(1S)-2-[[(1S)-2-(benzylamino)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C42H46BrN5O6 MolecularWeight: 796.74854

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C42H46BrN5O6/c1-27(38(49)47-36(39(50)45-24-29-12-7-5-8-13-29)23-31-25-44-37-33(31)16-11-17-34(37)43)46-40(51)35(48-41(52)54-42(2,3)4)22-28-18-20-32(21-19-28)53-26-30-14-9-6-10-15-30/h5-21,25,27,35-36,44H,22-24,26H2,1-4H3,(H,45,50)(H,46,51)(H,47,49)(H,48,52)/t27-,35-,36-/m0/s1