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

Systemtic Name: 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)phenyl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: 3-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-(3-hydroxyphenyl)phenyl]-oxomethyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: 3-[[4-[(2-acetamido-6-aminohexanoyl)amino]-2-(3-hydroxyphenyl)benzoyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoyl]amino]-4-amino-4-keto-butyric acid Formula: C25H31N5O7 MolecularWeight: 513.54294

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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)O)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)O)C(=O)N)C2=CC(=CC=C2)O

InChI

InChI=1S/C25H31N5O7/c1-14(31)28-20(7-2-3-10-26)25(37)29-16-8-9-18(19(12-16)15-5-4-6-17(32)11-15)24(36)30-21(23(27)35)13-22(33)34/h4-6,8-9,11-12,20-21,32H,2-3,7,10,13,26H2,1H3,(H2,27,35)(H,28,31)(H,29,37)(H,30,36)(H,33,34)