N-[(2S)-3-methyl-1-oxidanylidene-1-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](C1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@H]1CC[NH+](C1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c1-18(2)24(29-26(32)27-13-20-10-21(14-27)12-22(11-20)15-27)25(31)28-23-8-9-30(17-23)16-19-6-4-3-5-7-19/h3-7,18,20-24H,8-17H2,1-2H3,(H,28,31)(H,29,32)/p+1/t20?,21?,22?,23-,24-,27?/m0/s1