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

Systemtic Name: butyl 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)phenyl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C29H39N5O7 MolecularWeight: 569.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(=O)N)NC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCN)NC(=O)C)C2=CC(=CC=C2)O

Isomeric SMILES

CCCCOC(=O)CC(C(=O)N)NC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCN)NC(=O)C)C2=CC(=CC=C2)O

InChI

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