2-[2-[4-[(2-acetamido-6-azanyl-hexanoyl)amino]phenyl]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[4-[(2-acetamido-6-azanyl-hexanoyl)amino]phenyl]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[4-[(2-acetamido-6-amino-hexanoyl)amino]phenyl]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[4-[(2-acetamido-6-amino-1-oxohexyl)amino]phenyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[4-[(2-acetamido-6-aminohexanoyl)amino]phenyl]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[4-[(2-acetamido-6-amino-hexanoyl)amino]phenyl]acetyl]amino]succinic acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O7/c1-12(25)22-15(4-2-3-9-21)19(29)23-14-7-5-13(6-8-14)10-17(26)24-16(20(30)31)11-18(27)28/h5-8,15-16H,2-4,9-11,21H2,1H3,(H,22,25)(H,23,29)(H,24,26)(H,27,28)(H,30,31)