tert-butyl (2S)-3-[[4-[2-[6-(methylamino)pyridin-2-yl]ethyl]-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]phenyl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-[[4-[2-[6-(methylamino)pyridin-2-yl]ethyl]-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]phenyl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: tert-butyl (2S)-3-[[2-[5-(tert-butoxycarbonylamino)pentoxy]-4-[2-[6-(methylamino)-2-pyridyl]ethyl]benzoyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: (2S)-3-[[[4-[2-[6-(methylamino)-2-pyridinyl]ethyl]-2-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentoxy]phenyl]-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[[4-[2-[6-(methylamino)pyridin-2-yl]ethyl]-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-[[2-[5-(tert-butoxycarbonylamino)pentoxy]-4-[2-[6-(methylamino)-2-pyridyl]ethyl]benzoyl]amino]-2-(mesitylsulfonylamino)propionic acid tert-butyl ester Formula: C41H59N5O8S MolecularWeight: 782.00086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=C(C=C(C=C2)CCC3=NC(=CC=C3)NC)OCCCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CNC(=O)C2=C(C=C(C=C2)CCC3=NC(=CC=C3)NC)OCCCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C41H59N5O8S/c1-27-23-28(2)36(29(3)24-27)55(50,51)46-33(38(48)53-40(4,5)6)26-44-37(47)32-20-18-30(17-19-31-15-14-16-35(42-10)45-31)25-34(32)52-22-13-11-12-21-43-39(49)54-41(7,8)9/h14-16,18,20,23-25,33,46H,11-13,17,19,21-22,26H2,1-10H3,(H,42,45)(H,43,49)(H,44,47)/t33-/m0/s1