2-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-3-phenyl-propionic acid Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c18-9-5-4-8-13(19)16(23)20-11-15(22)21-14(17(24)25)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,23)(H,21,22)(H,24,25)