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

Systemtic Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-oxobutyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-hydroxy-butyric acid Formula: C19H31N3O5 MolecularWeight: 381.46654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O5/c1-11(23)16(17(25)26)21-15(24)3-2-4-20-18(27)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14,16,23H,2-10H2,1H3,(H,21,24)(H,25,26)(H2,20,22,27)/t11?,12?,13?,14?,16-,19?/m0/s1