(2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-methyl-butyric acid Formula: C20H33N3O4 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4/c1-12(2)17(18(25)26)22-16(24)4-3-5-21-19(27)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15,17H,3-11H2,1-2H3,(H,22,24)(H,25,26)(H2,21,23,27)/t13?,14?,15?,17-,20?/m0/s1