(2S)-6-azanyl-2-[2-[5-(6-phenylhexanoylamino)pentanoylamino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[5-(6-phenylhexanoylamino)pentanoylamino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[5-(6-phenylhexanoylamino)pentanoylamino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[1-oxo-2-[[1-oxo-5-[(1-oxo-6-phenylhexyl)amino]pentyl]amino]ethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[5-(6-phenylhexanoylamino)pentanoylamino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[5-(6-phenylhexanoylamino)pentanoylamino]acetyl]amino]hexanoic acid Formula: C25H40N4O5 MolecularWeight: 476.6089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(=O)NCCCCC(=O)NCC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C25H40N4O5/c26-17-9-7-14-21(25(33)34)29-24(32)19-28-23(31)16-8-10-18-27-22(30)15-6-2-5-13-20-11-3-1-4-12-20/h1,3-4,11-12,21H,2,5-10,13-19,26H2,(H,27,30)(H,28,31)(H,29,32)(H,33,34)/t21-/m0/s1