(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-(1H-imidazol-5-yl)propionic acid Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)NC(CC4=CN=CN4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)N[C@@H](CC4=CN=CN4)C(=O)O

InChI

InChI=1S/C23H35N5O4/c29-20(27-19(21(30)31)9-18-13-24-14-26-18)4-2-1-3-5-25-22(32)28-23-10-15-6-16(11-23)8-17(7-15)12-23/h13-17,19H,1-12H2,(H,24,26)(H,27,29)(H,30,31)(H2,25,28,32)/t15?,16?,17?,19-,23?/m0/s1