Home Other Building Blocks 3-({3-[(oxolan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

3-({3-[(oxolan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

CAS No.:
729582-32-5
Catalog Number:
AG019I0E
Molecular Formula:
C18H24N2O5S
Molecular Weight:
380.4586
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Product Description
Catalog Number:
AG019I0E
Chemical Name:
3-({3-[(oxolan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid
CAS Number:
729582-32-5
Molecular Formula:
C18H24N2O5S
Molecular Weight:
380.4586
MDL Number:
MFCD03970822
IUPAC Name:
4-oxo-4-[[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid
InChI:
InChI=1S/C18H24N2O5S/c21-14(7-8-15(22)23)20-18-16(12-5-1-2-6-13(12)26-18)17(24)19-10-11-4-3-9-25-11/h11H,1-10H2,(H,19,24)(H,20,21)(H,22,23)
InChI Key:
NRYGPDHRLIEFSO-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2
Properties
Complexity:
544  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.141g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
380.459g/mol
Monoisotopic Mass:
380.141g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties