(2S)-N-[4-(1-adamantyl)phenyl]-2-(aminocarbonylamino)-3-methyl-butanamide

Systemtic Name: (2S)-N-[4-(1-adamantyl)phenyl]-2-(aminocarbonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-ureido-butanamide CAS Name: (2S)-N-[4-(1-adamantyl)phenyl]-2-(carbamoylamino)-3-methylbutanamide IUPAC Name: (2S)-N-[4-(1-adamantyl)phenyl]-2-(carbamoylamino)-3-methylbutanamide Traditional Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-ureido-butyramide Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)N

InChI

InChI=1S/C22H31N3O2/c1-13(2)19(25-21(23)27)20(26)24-18-5-3-17(4-6-18)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,24,26)(H3,23,25,27)/t14?,15?,16?,19-,22?/m0/s1