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

Systemtic Name: (2S)-5-azanyl-2-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoic acid Openeye Name: (2S)-5-amino-2-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoic acid CAS Name: (2S)-5-amino-2-[[1-oxo-6-[(1-oxo-4-phenylbutyl)amino]hexyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[6-(4-phenylbutanoylamino)hexanoylamino]pentanoic acid Traditional Name: (2S)-5-amino-2-[6-(4-phenylbutanoylamino)hexanoylamino]valeric acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)NC(CCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c22-15-8-12-18(21(27)28)24-20(26)13-5-2-6-16-23-19(25)14-7-11-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16,22H2,(H,23,25)(H,24,26)(H,27,28)/t18-/m0/s1