6-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C18H28N4O6 MolecularWeight: 396.43812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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