2-[[4-(7-azanylheptanoylamino)phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-(7-azanylheptanoylamino)phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-(7-aminoheptanoylamino)benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(7-amino-1-oxoheptyl)amino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-(7-aminoheptanoylamino)benzoyl]amino]butanedioic acid Traditional Name: 2-[[4-(7-aminoheptanoylamino)benzoyl]amino]succinic acid Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCCCCCN

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCCCCCN

InChI

InChI=1S/C18H25N3O6/c19-10-4-2-1-3-5-15(22)20-13-8-6-12(7-9-13)17(25)21-14(18(26)27)11-16(23)24/h6-9,14H,1-5,10-11,19H2,(H,20,22)(H,21,25)(H,23,24)(H,26,27)