(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-[[(2S)-2-(4-methoxyphenyl)-2-[[(2S)-1-oxidanylidene-1-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-phenylmethoxy-propan-2-yl]amino]ethyl]disulfanyl]ethyl]amino]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-3-phenylmethoxy-propanamide

Systemtic Name: (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-[[(2S)-2-(4-methoxyphenyl)-2-[[(2S)-1-oxidanylidene-1-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-phenylmethoxy-propan-2-yl]amino]ethyl]disulfanyl]ethyl]amino]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-3-phenylmethoxy-propanamide Openeye Name: (2S)-N-[2-(benzylamino)-2-oxo-ethyl]-2-[[(1S)-2-[[(2S)-2-[[(1S)-2-[[2-(benzylamino)-2-oxo-ethyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-2-(4-methoxyphenyl)ethyl]disulfanyl]-1-(4-methoxyphenyl)ethyl]amino]-3-benzyloxy-propanamide CAS Name: (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-[[(2S)-2-(4-methoxyphenyl)-2-[[(2S)-1-oxo-1-[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-phenylmethoxypropan-2-yl]amino]ethyl]disulfanyl]ethyl]amino]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-phenylmethoxypropanamide IUPAC Name: (2S)-N-[2-(benzylamino)-2-oxoethyl]-2-[[(1S)-2-[[(2S)-2-[[(2S)-1-[[2-(benzylamino)-2-oxoethyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-(4-methoxyphenyl)ethyl]disulfanyl]-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxypropanamide Traditional Name: (2S)-3-benzoxy-2-[[(1S)-2-[[(2S)-2-[[(1S)-1-(benzoxymethyl)-2-[[2-(benzylamino)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-(4-methoxyphenyl)ethyl]disulfanyl]-1-(4-methoxyphenyl)ethyl]amino]-N-[2-(benzylamino)-2-keto-ethyl]propionamide Formula: C56H64N6O8S2 MolecularWeight: 1013.27276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CSSCC(C2=CC=C(C=C2)OC)NC(COCC3=CC=CC=C3)C(=O)NCC(=O)NCC4=CC=CC=C4)NC(COCC5=CC=CC=C5)C(=O)NCC(=O)NCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CSSC[C@H](C2=CC=C(C=C2)OC)N[C@@H](COCC3=CC=CC=C3)C(=O)NCC(=O)NCC4=CC=CC=C4)N[C@@H](COCC5=CC=CC=C5)C(=O)NCC(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C56H64N6O8S2/c1-67-47-27-23-45(24-28-47)51(61-49(37-69-35-43-19-11-5-12-20-43)55(65)59-33-53(63)57-31-41-15-7-3-8-16-41)39-71-72-40-52(46-25-29-48(68-2)30-26-46)62-50(38-70-36-44-21-13-6-14-22-44)56(66)60-34-54(64)58-32-42-17-9-4-10-18-42/h3-30,49-52,61-62H,31-40H2,1-2H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t49-,50-,51+,52+/m0/s1