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

Systemtic Name: 6-azanyl-2-[2-[[6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]acetyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]acetyl]amino]hexanoic acid Formula: C20H41N7O5 MolecularWeight: 459.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H41N7O5/c21-10-4-1-7-14(24)18(29)27-15(8-2-5-11-22)19(30)25-13-17(28)26-16(20(31)32)9-3-6-12-23/h14-16H,1-13,21-24H2,(H,25,30)(H,26,28)(H,27,29)(H,31,32)