(2S)-2-azanyl-6-[5-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoylamino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[5-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoylamino]hexanoic acid Openeye Name: (2S)-2-amino-6-[5-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoylamino]hexanoic acid CAS Name: (2S)-2-amino-6-[[1-oxo-5-[[1-oxo-6-[(1-oxo-4-phenylbutyl)amino]hexyl]amino]pentyl]amino]hexanoic acid IUPAC Name: (2S)-2-amino-6-[5-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoylamino]hexanoic acid Traditional Name: (2S)-2-amino-6-[5-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoylamino]hexanoic acid Formula: C27H44N4O5 MolecularWeight: 504.66206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)NCCCCC(=O)NCCCCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)NCCCCC(=O)NCCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C27H44N4O5/c28-23(27(35)36)15-6-9-20-30-25(33)17-7-10-21-31-24(32)16-5-2-8-19-29-26(34)18-11-14-22-12-3-1-4-13-22/h1,3-4,12-13,23H,2,5-11,14-21,28H2,(H,29,34)(H,30,33)(H,31,32)(H,35,36)/t23-/m0/s1