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Rev 6134

CAT: 0931-T26066Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26066Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92892-92-7
Target
Others
Related Pathways
Others
Bioactivity
Rev 6134 is an ACE-inhibitor with non-sulfhydryl containing.
Smiles
[C@H](N[C@H](C(N(OCCOCC)CC(O)=O)=O)C)(CCC1=CC=CC=C1)C(OCC)=O
Molecular Formula
C21H32N2O7
Molecular Weight
424.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rev 6134

structure given in first source

CAS Number92892-92-7
PubChem CID5487898
IUPAC Name2-[2-ethoxyethoxy-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
Molecular FormulaC21H32N2O7
Molecular Weight424.5
XLogP-0.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity523
SMILES
CCOCCON(CC(=O)O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C21H32N2O7/c1-4-28-13-14-30-23(15-19(24)25)20(26)16(3)22-18(21(27)29-5-2)12-11-17-9-7-6-8-10-17/h6-10,16,18,22H,4-5,11-15H2,1-3H3,(H,24,25)/t16-,18-/m0/s1
InChIKey
NSPDHBNMNDQNNY-WMZOPIPTSA-N
Chemical Structure
2D Structure
2D structure of Rev 6134
CAS: 92892-92-7
CID: 5487898
Formula: C21H32N2O7
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass424.22095136
Monoisotopic Mass424.22095136
Topological Polar Surface Area114 Ų
Heavy Atom Count30
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes