(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-octanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-octanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-octanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-1-oxooctyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxyoctanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-octanoyl]amino]-3-phenyl-propionic acid Formula: C17H26N2O4 MolecularWeight: 322.39934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)O)N

Isomeric SMILES

CCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)O)N

InChI

InChI=1S/C17H26N2O4/c1-2-3-5-10-13(18)15(20)16(21)19-14(17(22)23)11-12-8-6-4-7-9-12/h4,6-9,13-15,20H,2-3,5,10-11,18H2,1H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1