2,10-bis(azanyl)-6-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-5-(hydroxymethyl)undecanedioic acid

Systemtic Name: 2,10-bis(azanyl)-6-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-5-(hydroxymethyl)undecanedioic acid Openeye Name: 2,10-diamino-6-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-5-(hydroxymethyl)undecanedioic acid CAS Name: 2,10-diamino-6-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-5-(hydroxymethyl)undecanedioic acid IUPAC Name: 2,10-diamino-6-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-5-(hydroxymethyl)undecanedioic acid Traditional Name: 2,10-diamino-6-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-5-methylol-undecanedioic acid Formula: C18H31N5O6 MolecularWeight: 413.46864

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)C(CCCC(C(=O)O)N)C(CCC(C(=O)O)N)CO)N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)C(CCCC(C(=O)O)N)C(CCC(C(=O)O)N)CO)N

InChI

InChI=1S/C18H31N5O6/c19-13(17(26)27)3-1-2-12(10(8-24)4-5-14(20)18(28)29)16(25)15(21)6-11-7-22-9-23-11/h7,9-10,12-15,24H,1-6,8,19-21H2,(H,22,23)(H,26,27)(H,28,29)