tert-butyl N-[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-1-[8-[[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]octylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-1-[8-[[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]octylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[8-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]octylamino]-1-[(4-hydroxy-2,6-dimethyl-phenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-1-[8-[[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]octylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-1-[8-[[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]octylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[8-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]octylamino]-1-(4-hydroxy-2,6-dimethyl-benzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C40H62N4O8 MolecularWeight: 726.94228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCCCCCCCCNC(=O)C(CC2=C(C=C(C=C2C)O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H](CC2=C(C=C(C=C2C)O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)O

InChI

InChI=1S/C40H62N4O8/c1-25-19-29(45)20-26(2)31(25)23-33(43-37(49)51-39(5,6)7)35(47)41-17-15-13-11-12-14-16-18-42-36(48)34(44-38(50)52-40(8,9)10)24-32-27(3)21-30(46)22-28(32)4/h19-22,33-34,45-46H,11-18,23-24H2,1-10H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t33-,34-/m0/s1