2-[2,6-bis(azanyl)hexanoyl-prop-2-enoyl-amino]-3-oxidanylidene-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl-prop-2-enoyl-amino]-3-oxidanylidene-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[2,6-diaminohexanoyl(prop-2-enoyl)amino]-3-oxo-propanoic acid CAS Name: 2-[(2,6-diamino-1-oxohexyl)-(1-oxoprop-2-enyl)amino]-3-oxo-3-phenylmethoxypropanoic acid IUPAC Name: 2-[2,6-diaminohexanoyl(prop-2-enoyl)amino]-3-oxo-3-phenylmethoxypropanoic acid Traditional Name: 2-[acryloyl(2,6-diaminohexanoyl)amino]-3-benzoxy-3-keto-propionic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N(C(C(=O)O)C(=O)OCC1=CC=CC=C1)C(=O)C(CCCCN)N

Isomeric SMILES

C=CC(=O)N(C(C(=O)O)C(=O)OCC1=CC=CC=C1)C(=O)C(CCCCN)N

InChI

InChI=1S/C19H25N3O6/c1-2-15(23)22(17(24)14(21)10-6-7-11-20)16(18(25)26)19(27)28-12-13-8-4-3-5-9-13/h2-5,8-9,14,16H,1,6-7,10-12,20-21H2,(H,25,26)