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9-azanyl-2-[(2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl)amino]nonanoic acid

9-azanyl-2-[(2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl)amino]nonanoic acid

Systemtic Name:9-azanyl-2-[(2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl)amino]nonanoic acid
Openeye Name:9-amino-2-[[2-oxo-6-(2-thienyl)azepan-3-yl]amino]nonanoic acid
CAS Name:9-amino-2-[(2-oxo-6-thiophen-2-yl-3-azepanyl)amino]nonanoic acid
IUPAC Name:9-amino-2-[(2-oxo-6-thiophen-2-ylazepan-3-yl)amino]nonanoic acid
Traditional Name:9-amino-2-[[2-keto-6-(2-thienyl)azepan-3-yl]amino]pelargonic acid
Formula: C19H31N3O3S
MolecularWeight: 381.53274
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NCC1C2=CC=CS2)NC(CCCCCCCN)C(=O)O


Isomeric SMILES

C1CC(C(=O)NCC1C2=CC=CS2)NC(CCCCCCCN)C(=O)O


InChI

InChI=1S/C19H31N3O3S/c20-11-5-3-1-2-4-7-16(19(24)25)22-15-10-9-14(13-21-18(15)23)17-8-6-12-26-17/h6,8,12,14-16,22H,1-5,7,9-11,13,20H2,(H,21,23)(H,24,25)


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