2-[1-adamantyl(methoxycarbonyl)amino]-3-[4-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butoxy]phenyl]propanoic acid

Systemtic Name: 2-[1-adamantyl(methoxycarbonyl)amino]-3-[4-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butoxy]phenyl]propanoic acid Openeye Name: 2-[1-adamantyl(methoxycarbonyl)amino]-3-[4-(4-guanidino-4-oxo-butoxy)phenyl]propanoic acid CAS Name: 2-[1-adamantyl(methoxycarbonyl)amino]-3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]propanoic acid IUPAC Name: 2-[1-adamantyl(methoxycarbonyl)amino]-3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]propanoic acid Traditional Name: 2-[1-adamantyl(carbomethoxy)amino]-3-[4-(4-guanidino-4-keto-butoxy)phenyl]propionic acid Formula: C26H36N4O6 MolecularWeight: 500.58724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C(CC1=CC=C(C=C1)OCCCC(=O)N=C(N)N)C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)N(C(CC1=CC=C(C=C1)OCCCC(=O)N=C(N)N)C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N4O6/c1-35-25(34)30(26-13-17-9-18(14-26)11-19(10-17)15-26)21(23(32)33)12-16-4-6-20(7-5-16)36-8-2-3-22(31)29-24(27)28/h4-7,17-19,21H,2-3,8-15H2,1H3,(H,32,33)(H4,27,28,29,31)