6-azanyl-2-[[6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoic acid Formula: C18H38N6O4 MolecularWeight: 402.53212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H38N6O4/c19-10-4-1-7-13(22)16(25)23-14(8-2-5-11-20)17(26)24-15(18(27)28)9-3-6-12-21/h13-15H,1-12,19-22H2,(H,23,25)(H,24,26)(H,27,28)