4-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]phenyl]carbonylamino]-5-(methylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]phenyl]carbonylamino]-5-(methylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-[(2-acetamido-6-amino-hexanoyl)amino]benzoyl]amino]-5-(methylamino)-5-oxo-pentanoic acid CAS Name: 4-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]phenyl]-oxomethyl]amino]-5-(methylamino)-5-oxopentanoic acid IUPAC Name: 4-[[4-[(2-acetamido-6-aminohexanoyl)amino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid Traditional Name: 4-[[4-[(2-acetamido-6-amino-hexanoyl)amino]benzoyl]amino]-5-keto-5-(methylamino)valeric acid Formula: C21H31N5O6 MolecularWeight: 449.50074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)NC

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)NC

InChI

InChI=1S/C21H31N5O6/c1-13(27)24-16(5-3-4-12-22)21(32)25-15-8-6-14(7-9-15)19(30)26-17(20(31)23-2)10-11-18(28)29/h6-9,16-17H,3-5,10-12,22H2,1-2H3,(H,23,31)(H,24,27)(H,25,32)(H,26,30)(H,28,29)