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

Systemtic Name: 4-[[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]phenyl]carbonylamino]-methyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[[4-[(2-acetamido-6-amino-hexanoyl)amino]benzoyl]amino]-methyl-amino]-5-oxo-pentanoic acid CAS Name: 4-[[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]phenyl]-oxomethyl]amino]-methylamino]-5-oxopentanoic acid IUPAC Name: 4-[[[4-[(2-acetamido-6-aminohexanoyl)amino]benzoyl]amino]-methylamino]-5-oxopentanoic acid Traditional Name: 4-[[[4-[(2-acetamido-6-amino-hexanoyl)amino]benzoyl]amino]-methyl-amino]-5-keto-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)NN(C)C(CCC(=O)O)C=O

Isomeric SMILES

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

InChI

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