2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[[4-(benzotriazol-1-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]hexanoate

Systemtic Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[[4-(benzotriazol-1-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]hexanoate Openeye Name: 2-[(4-phenylazophenyl)methylsulfanyl]ethyl 6-[[4-(benzotriazole-1-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]hexanoate CAS Name: 6-[[[4-[[1-benzotriazolyl(oxo)methyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]hexanoic acid 2-[(4-phenyldiazenylphenyl)methylthio]ethyl ester IUPAC Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[[4-(benzotriazole-1-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]hexanoate Traditional Name: 6-[[4-(benzotriazole-1-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]hexanoic acid 2-[(4-phenylazobenzyl)thio]ethyl ester Formula: C34H36N8O4S MolecularWeight: 652.76584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCCCC(=O)OCCSCC2=CC=C(C=C2)N=NC3=CC=CC=C3)NC(=O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCCCC(=O)OCCSCC2=CC=C(C=C2)N=NC3=CC=CC=C3)NC(=O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C34H36N8O4S/c1-41-23-28(36-34(45)42-30-13-8-7-12-29(30)39-40-42)22-31(41)33(44)35-19-9-3-6-14-32(43)46-20-21-47-24-25-15-17-27(18-16-25)38-37-26-10-4-2-5-11-26/h2,4-5,7-8,10-13,15-18,22-23H,3,6,9,14,19-21,24H2,1H3,(H,35,44)(H,36,45)