2-azanyl-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-propanoic acid Openeye Name: 2-amino-3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-propanoic acid CAS Name: 2-amino-3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxypropanoic acid IUPAC Name: 2-amino-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxypropanoic acid Traditional Name: 2-amino-3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-propionic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(S2)C(C(C(=O)O)N)O

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(S2)C(C(C(=O)O)N)O

InChI

InChI=1S/C14H22N2O3S/c15-12(14(18)19)13(17)11-6-5-10(20-11)9-16-7-3-1-2-4-8-16/h5-6,12-13,17H,1-4,7-9,15H2,(H,18,19)