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

Systemtic Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butoxy]phenyl]propanoic acid Openeye Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-(4-guanidino-4-oxo-butoxy)phenyl]propanoic acid CAS Name: 2-[[1-adamantylmethoxy(oxo)methyl]amino]-3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]propanoic acid IUPAC Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]propanoic acid Traditional Name: 2-(1-adamantylmethoxycarbonylamino)-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:

C1C2CC3CC1CC(C2)(C3)COC(=O)NC(CC4=CC=C(C=C4)OCCCC(=O)N=C(N)N)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)NC(CC4=CC=C(C=C4)OCCCC(=O)N=C(N)N)C(=O)O

InChI

InChI=1S/C26H36N4O6/c27-24(28)30-22(31)2-1-7-35-20-5-3-16(4-6-20)11-21(23(32)33)29-25(34)36-15-26-12-17-8-18(13-26)10-19(9-17)14-26/h3-6,17-19,21H,1-2,7-15H2,(H,29,34)(H,32,33)(H4,27,28,30,31)