(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-methyl-pentanoic acid CAS Name: (2S)-2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-methylpentanoic acid Traditional Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-methyl-valeric acid Formula: C23H39N3O4 MolecularWeight: 421.57346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)CCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C23H39N3O4/c1-3-15(2)20(21(28)29)25-19(27)7-5-4-6-8-24-22(30)26-23-12-16-9-17(13-23)11-18(10-16)14-23/h15-18,20H,3-14H2,1-2H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15?,16?,17?,18?,20-,23?/m0/s1