(2S)-2-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-phenyl-propionic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H28N2O4/c25-19(24-18(20(26)27)9-14-4-2-1-3-5-14)13-23-21(28)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-13H2,(H,23,28)(H,24,25)(H,26,27)/t15?,16?,17?,18-,22?/m0/s1