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

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-6-(6-phenylhexanoylamino)hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-6-(6-phenylhexanoylamino)hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-6-[(1-oxo-6-phenylhexyl)amino]hexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-6-(6-phenylhexanoylamino)hexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-6-(6-phenylhexanoylamino)hexanoyl]amino]propionic acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCCCNC(=O)CCCCCC1=CC=CC=C1)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)CCCCCC1=CC=CC=C1)N

InChI

InChI=1S/C21H33N3O4/c1-16(21(27)28)24-20(26)18(22)13-8-9-15-23-19(25)14-7-3-6-12-17-10-4-2-5-11-17/h2,4-5,10-11,16,18H,3,6-9,12-15,22H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t16-,18-/m0/s1