2-azanyl-6-[[2-ethoxy-1-oxidanyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propoxy]amino]hexanoic acid

Systemtic Name: 2-azanyl-6-[[2-ethoxy-1-oxidanyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propoxy]amino]hexanoic acid Openeye Name: 2-amino-6-[[2-ethoxy-1-hydroxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propoxy]amino]hexanoic acid CAS Name: 2-amino-6-[[2-ethoxy-1-hydroxy-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]propoxy]amino]hexanoic acid IUPAC Name: 2-amino-6-[[2-ethoxy-1-hydroxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propoxy]amino]hexanoic acid Traditional Name: 2-amino-6-[[2-ethoxy-1-hydroxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propoxy]amino]hexanoic acid Formula: C31H39N3O6S MolecularWeight: 581.72286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(O)ONCCCCC(C(=O)O)N

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(O)ONCCCCC(C(=O)O)N

InChI

InChI=1S/C31H39N3O6S/c1-2-38-27(31(37)40-33-18-8-7-9-24(32)30(35)36)21-22-14-16-23(17-15-22)39-20-19-34-25-10-3-5-12-28(25)41-29-13-6-4-11-26(29)34/h3-6,10-17,24,27,31,33,37H,2,7-9,18-21,32H2,1H3,(H,35,36)