tert-butyl 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)phenyl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)phenyl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoyl]amino]-4-amino-4-oxo-butanoate CAS Name: 3-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-(3-hydroxyphenyl)phenyl]-oxomethyl]amino]-4-amino-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[(2-acetamido-6-aminohexanoyl)amino]-2-(3-hydroxyphenyl)benzoyl]amino]-4-amino-4-oxobutanoate Traditional Name: 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoyl]amino]-4-amino-4-keto-butyric acid tert-butyl ester Formula: C29H39N5O7 MolecularWeight: 569.64926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)N)C2=CC(=CC=C2)O

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)N)C2=CC(=CC=C2)O

InChI

InChI=1S/C29H39N5O7/c1-17(35)32-23(10-5-6-13-30)28(40)33-19-11-12-21(22(15-19)18-8-7-9-20(36)14-18)27(39)34-24(26(31)38)16-25(37)41-29(2,3)4/h7-9,11-12,14-15,23-24,36H,5-6,10,13,16,30H2,1-4H3,(H2,31,38)(H,32,35)(H,33,40)(H,34,39)