tert-butyl N-[3-[[(2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]propyl]-N-[6-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-(phenylmethyl)amino]hexyl-(phenylmethyl)amino]hexyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]propyl]-N-[6-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-(phenylmethyl)amino]hexyl-(phenylmethyl)amino]hexyl]carbamate Openeye Name: tert-butyl N-[6-[benzyl-[6-[benzyl-[6-(tert-butoxycarbonylamino)hexyl]amino]hexyl]amino]hexyl]-N-[3-[[(2S)-3-(4-benzyloxyphenyl)-2-(butanoylamino)propanoyl]amino]propyl]carbamate CAS Name: N-[6-[6-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl-(phenylmethyl)amino]hexyl-(phenylmethyl)amino]hexyl]-N-[3-[[(2S)-1-oxo-2-(1-oxobutylamino)-3-(4-phenylmethoxyphenyl)propyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[benzyl-[6-[benzyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]hexyl]amino]hexyl]-N-[3-[[(2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]propyl]carbamate Traditional Name: N-[3-[[(2S)-3-(4-benzoxyphenyl)-2-butyramido-propanoyl]amino]propyl]-N-[6-[benzyl-[6-[benzyl-[6-(tert-butoxycarbonylamino)hexyl]amino]hexyl]amino]hexyl]carbamic acid tert-butyl ester Formula: C65H98N6O7 MolecularWeight: 1075.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCN(CCCCCCN(CCCCCCN(CCCCCCNC(=O)OC(C)(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCN(CCCCCCN(CCCCCCN(CCCCCCNC(=O)OC(C)(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C65H98N6O7/c1-8-31-60(72)68-59(50-54-38-40-58(41-39-54)76-53-57-36-22-17-23-37-57)61(73)66-43-30-49-71(63(75)78-65(5,6)7)48-29-14-13-28-47-70(52-56-34-20-16-21-35-56)46-27-12-11-26-45-69(51-55-32-18-15-19-33-55)44-25-10-9-24-42-67-62(74)77-64(2,3)4/h15-23,32-41,59H,8-14,24-31,42-53H2,1-7H3,(H,66,73)(H,67,74)(H,68,72)/t59-/m0/s1