(2S)-2-[[(2S)-2-azanyl-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-6-[(1-oxo-3-phenylpropyl)amino]hexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-6-(hydrocinnamoylamino)hexanoyl]amino]propionic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCCCNC(=O)CCC1=CC=CC=C1)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)CCC1=CC=CC=C1)N

InChI

InChI=1S/C18H27N3O4/c1-13(18(24)25)21-17(23)15(19)9-5-6-12-20-16(22)11-10-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,19H2,1H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-/m0/s1