2-[bis(1-adamantyloxycarbonyl)amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[bis(1-adamantyloxycarbonyl)amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[bis(1-adamantyloxycarbonyl)amino]-5-guanidino-pentanoic acid CAS Name: 2-[bis[1-adamantyloxy(oxo)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[bis(1-adamantyloxycarbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[bis(1-adamantyloxycarbonyl)amino]-5-guanidino-valeric acid Formula: C28H42N4O6 MolecularWeight: 530.65628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)OC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)OC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H42N4O6/c29-24(30)31-3-1-2-22(23(33)34)32(25(35)37-27-10-16-4-17(11-27)6-18(5-16)12-27)26(36)38-28-13-19-7-20(14-28)9-21(8-19)15-28/h16-22H,1-15H2,(H,33,34)(H4,29,30,31)