tert-butyl N-[(5S)-5-(tert-butylcarbamoylamino)-5-[1-(4-chloranyl-3-nitro-phenyl)-4-[2-methyl-1-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]imidazol-2-yl]pentyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-5-(tert-butylcarbamoylamino)-5-[1-(4-chloranyl-3-nitro-phenyl)-4-[2-methyl-1-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]imidazol-2-yl]pentyl]carbamate Openeye Name: tert-butyl N-[3-[2-[2-[2-[(1S)-5-(tert-butoxycarbonylamino)-1-(tert-butylcarbamoylamino)pentyl]-1-(4-chloro-3-nitro-phenyl)imidazol-4-yl]-2-methyl-propanoyl]hydrazino]propyl]carbamate CAS Name: N-[(5S)-5-[[(tert-butylamino)-oxomethyl]amino]-5-[1-(4-chloro-3-nitrophenyl)-4-[2-methyl-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylhydrazo]-1-oxopropan-2-yl]-2-imidazolyl]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-5-(tert-butylcarbamoylamino)-5-[1-(4-chloro-3-nitrophenyl)-4-[2-methyl-1-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]hydrazinyl]-1-oxopropan-2-yl]imidazol-2-yl]pentyl]carbamate Traditional Name: N-[3-[N'-[2-[2-[(1S)-5-(tert-butoxycarbonylamino)-1-(tert-butylcarbamoylamino)pentyl]-1-(4-chloro-3-nitro-phenyl)imidazol-4-yl]-2-methyl-propanoyl]hydrazino]propyl]carbamic acid tert-butyl ester Formula: C36H58ClN9O8 MolecularWeight: 780.35422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(CCCCNC(=O)OC(C)(C)C)C1=NC(=CN1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)(C)C(=O)NNCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C1=NC(=CN1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)(C)C(=O)NNCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C36H58ClN9O8/c1-33(2,3)43-30(48)41-25(15-12-13-18-38-31(49)53-34(4,5)6)28-42-27(22-45(28)23-16-17-24(37)26(21-23)46(51)52)36(10,11)29(47)44-40-20-14-19-39-32(50)54-35(7,8)9/h16-17,21-22,25,40H,12-15,18-20H2,1-11H3,(H,38,49)(H,39,50)(H,44,47)(H2,41,43,48)/t25-/m0/s1