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SM-433

CAT: 0013-GTR19184639-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184639-01Size:25 mg
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Description
SM-433
CAS Number
1071992-81-8
Field of Research
Cell Biology
Smiles
[H][C@]12CC[C@H] (N1C (=O) [C@H] (CN (CC2) C (=O) CC (C) C) NC (=O) [C@H] (C) NC) C (=O) NCc1ccccc1-c1ccccc1
Molecular Formula
C32H43N5O4
Molecular Weight
561.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DH7Q8Hyp47
CAS Number1071992-81-8
PubChem CID25173585
IUPAC Name(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
Molecular FormulaC32H43N5O4
Molecular Weight561.7
XLogP3.1
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity920
SMILES
C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C(=O)CC(C)C)NC
InChI
InChI=1S/C32H43N5O4/c1-21(2)18-29(38)36-17-16-25-14-15-28(37(25)32(41)27(20-36)35-30(39)22(3)33-4)31(40)34-19-24-12-8-9-13-26(24)23-10-6-5-7-11-23/h5-13,21-22,25,27-28,33H,14-20H2,1-4H3,(H,34,40)(H,35,39)/t22-,25+,27-,28-/m0/s1
InChIKey
SZVCBOBNBHXZKC-MZRLSVQCSA-N
Chemical Structure
2D Structure
2D structure of DH7Q8Hyp47
CAS: 1071992-81-8
CID: 25173585
Formula: C32H43N5O4
MW: 561.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.7
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass561.33150487
Monoisotopic Mass561.33150487
Topological Polar Surface Area111 Ų
Heavy Atom Count41
Formal Charge0
Complexity920
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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