(3S,4S)-3-(1-adamantylmethylcarbamoyl)-4-phenyl-pentanoic acid

Systemtic Name: (3S,4S)-3-(1-adamantylmethylcarbamoyl)-4-phenyl-pentanoic acid Openeye Name: (3S,4S)-3-(1-adamantylmethylcarbamoyl)-4-phenyl-pentanoic acid CAS Name: (3S,4S)-3-[(1-adamantylmethylamino)-oxomethyl]-4-phenylpentanoic acid IUPAC Name: (3S,4S)-3-(1-adamantylmethylcarbamoyl)-4-phenylpentanoic acid Traditional Name: (3S,4S)-3-(1-adamantylmethylcarbamoyl)-4-phenyl-valeric acid Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CC(=O)O)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[C@H](CC(=O)O)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO3/c1-15(19-5-3-2-4-6-19)20(10-21(25)26)22(27)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-6,15-18,20H,7-14H2,1H3,(H,24,27)(H,25,26)/t15-,16?,17?,18?,20+,23?/m1/s1