4-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 4-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-piperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]butanoic acid Traditional Name: 4-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]-4-phenyl-isonipecotoyl]amino]butyric acid Formula: C24H36N4O5 MolecularWeight: 460.56644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NCCCC(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NCCCC(=O)O

InChI

InChI=1S/C24H36N4O5/c1-18(29)27-20(10-5-6-14-25)22(32)28-16-12-24(13-17-28,19-8-3-2-4-9-19)23(33)26-15-7-11-21(30)31/h2-4,8-9,20H,5-7,10-17,25H2,1H3,(H,26,33)(H,27,29)(H,30,31)/t20-/m0/s1