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

Systemtic Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]hexanoate Openeye Name: 2-[(4-phenylazophenyl)methylsulfanyl]ethyl 6-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]hexanoate CAS Name: 6-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]hexanoic acid 2-[(4-phenyldiazenylphenyl)methylthio]ethyl ester IUPAC Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[(4-amino-1-methylpyrrole-2-carbonyl)amino]hexanoate Traditional Name: 6-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]hexanoic acid 2-[(4-phenylazobenzyl)thio]ethyl ester Formula: C27H33N5O3S MolecularWeight: 507.64762

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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)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCCCC(=O)OCCSCC2=CC=C(C=C2)N=NC3=CC=CC=C3)N

InChI

InChI=1S/C27H33N5O3S/c1-32-19-22(28)18-25(32)27(34)29-15-7-3-6-10-26(33)35-16-17-36-20-21-11-13-24(14-12-21)31-30-23-8-4-2-5-9-23/h2,4-5,8-9,11-14,18-19H,3,6-7,10,15-17,20,28H2,1H3,(H,29,34)