(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]butanedioic acid Openeye Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]butanedioic acid CAS Name: (2S)-2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]amino]butanedioic acid IUPAC Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]butanedioic acid Traditional Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]succinic acid Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C21H33N3O6/c25-17(23-16(19(28)29)9-18(26)27)4-2-1-3-5-22-20(30)24-21-10-13-6-14(11-21)8-15(7-13)12-21/h13-16H,1-12H2,(H,23,25)(H,26,27)(H,28,29)(H2,22,24,30)/t13?,14?,15?,16-,21?/m0/s1