7-[5-(aminocarbonylcarbamoylamino)pentyl]nonadecanedioic acid; carbamic acid; perylene

Systemtic Name: 7-[5-(aminocarbonylcarbamoylamino)pentyl]nonadecanedioic acid; carbamic acid; perylene Openeye Name: 7-[5-(allophanoylamino)pentyl]nonadecanedioic acid; carbamic acid; perylene CAS Name: carbamic acid; 7-[5-[[(carbamoylamino)-oxomethyl]amino]pentyl]nonadecanedioic acid; perylene IUPAC Name: carbamic acid; 7-[5-(carbamoylcarbamoylamino)pentyl]nonadecanedioic acid; perylene Traditional Name: 7-[5-(allophanoylamino)pentyl]nonadecanedioic acid; carbamic acid; perylene Formula: C48H67N5O10 MolecularWeight: 874.07308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2.C(CCCCCC(CCCCCC(=O)O)CCCCCNC(=O)NC(=O)N)CCCCCC(=O)O.C(=O)(N)O.C(=O)(N)O

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2.C(CCCCCC(CCCCCC(=O)O)CCCCCNC(=O)NC(=O)N)CCCCCC(=O)O.C(=O)(N)O.C(=O)(N)O

InChI

InChI=1S/C26H49N3O6.C20H12.2CH3NO2/c27-25(34)29-26(35)28-21-15-9-12-18-22(17-11-8-14-20-24(32)33)16-10-6-4-2-1-3-5-7-13-19-23(30)31;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;2*2-1(3)4/h22H,1-21H2,(H,30,31)(H,32,33)(H4,27,28,29,34,35);1-12H;2*2H2,(H,3,4)