2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid; ethanoic acid

Systemtic Name: 2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: acetic acid; 2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: acetic acid; 2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: acetic acid; 2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propionic acid Formula: C20H32N4O8 MolecularWeight: 456.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1CC(C(=O)NC(CO)C(=O)O)NC(=O)C(CCCCN)N)O

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1CC(C(=O)NC(CO)C(=O)O)NC(=O)C(CCCCN)N)O

InChI

InChI=1S/C18H28N4O6.C2H4O2/c19-8-2-1-3-13(20)16(25)21-14(9-11-4-6-12(24)7-5-11)17(26)22-15(10-23)18(27)28;1-2(3)4/h4-7,13-15,23-24H,1-3,8-10,19-20H2,(H,21,25)(H,22,26)(H,27,28);1H3,(H,3,4)