6-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]hexanoic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2)N)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2)N)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C21H31N3O4/c22-17(14-16-8-3-1-4-9-16)15-19(25)24-13-7-10-18(24)21(28)23-12-6-2-5-11-20(26)27/h1,3-4,8-9,17-18H,2,5-7,10-15,22H2,(H,23,28)(H,26,27)/t17-,18+/m1/s1