2-[[4-(2-hydroxyethylcarbamoyl)-6-methyl-7-oxidanylidene-7-(propan-2-ylamino)heptanoyl]amino]ethyl 4-phenyldiazenylbenzoate

Systemtic Name: 2-[[4-(2-hydroxyethylcarbamoyl)-6-methyl-7-oxidanylidene-7-(propan-2-ylamino)heptanoyl]amino]ethyl 4-phenyldiazenylbenzoate Openeye Name: 2-[[4-(2-hydroxyethylcarbamoyl)-7-(isopropylamino)-6-methyl-7-oxo-heptanoyl]amino]ethyl 4-phenylazobenzoate CAS Name: 4-phenyldiazenylbenzoic acid 2-[[4-[(2-hydroxyethylamino)-oxomethyl]-6-methyl-1,7-dioxo-7-(propan-2-ylamino)heptyl]amino]ethyl ester IUPAC Name: 2-[[4-(2-hydroxyethylcarbamoyl)-6-methyl-7-oxo-7-(propan-2-ylamino)heptanoyl]amino]ethyl 4-phenyldiazenylbenzoate Traditional Name: 4-phenylazobenzoic acid 2-[[4-(2-hydroxyethylcarbamoyl)-7-(isopropylamino)-7-keto-6-methyl-heptanoyl]amino]ethyl ester Formula: C29H39N5O6 MolecularWeight: 553.64986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)CC(CCC(=O)NCCOC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)NCCO

Isomeric SMILES

CC(C)NC(=O)C(C)CC(CCC(=O)NCCOC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)NCCO

InChI

InChI=1S/C29H39N5O6/c1-20(2)32-27(37)21(3)19-23(28(38)31-15-17-35)11-14-26(36)30-16-18-40-29(39)22-9-12-25(13-10-22)34-33-24-7-5-4-6-8-24/h4-10,12-13,20-21,23,35H,11,14-19H2,1-3H3,(H,30,36)(H,31,38)(H,32,37)