2-azanyl-3-[3-(5-azanylpentanoylamino)phenyl]-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 2-azanyl-3-[3-(5-azanylpentanoylamino)phenyl]-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-amino-3-[3-(5-aminopentanoylamino)phenyl]-2-benzyl-3-oxo-propanoic acid CAS Name: 2-amino-3-[3-[(5-amino-1-oxopentyl)amino]phenyl]-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-amino-3-[3-(5-aminopentanoylamino)phenyl]-2-benzyl-3-oxopropanoic acid Traditional Name: 2-amino-3-[3-(5-aminopentanoylamino)phenyl]-2-benzyl-3-keto-propionic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=CC(=CC=C2)NC(=O)CCCCN)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=CC(=CC=C2)NC(=O)CCCCN)(C(=O)O)N

InChI

InChI=1S/C21H25N3O4/c22-12-5-4-11-18(25)24-17-10-6-9-16(13-17)19(26)21(23,20(27)28)14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14,22-23H2,(H,24,25)(H,27,28)