2,8-bis(azanyl)-4-benzamido-3-oxidanylidene-octanoic acid

Systemtic Name: 2,8-bis(azanyl)-4-benzamido-3-oxidanylidene-octanoic acid Openeye Name: 2,8-diamino-4-benzamido-3-oxo-octanoic acid CAS Name: 2,8-diamino-4-benzamido-3-oxooctanoic acid IUPAC Name: 2,8-diamino-4-benzamido-3-oxooctanoic acid Traditional Name: 2,8-diamino-4-benzamido-3-keto-caprylic acid Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c16-9-5-4-8-11(13(19)12(17)15(21)22)18-14(20)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,16-17H2,(H,18,20)(H,21,22)