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MMAF intermediate 2

CAT: 0127-OR1005783Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1005783Size:1 g
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CAS Number
864238-20-0
Purity
98%
Smiles
O=C(N[C@H](C(OC)=O)CC1=CC=CC=C1)[C@H](C)[C@@H](OC)[C@H]2NCCC2.Cl

Chemical Information

(S)-methyl 2-((2R,3R)-3-methoxy-2-methyl-3-((S)-pyrrolidin-2-yl)propanamido)-3-phenylpropanoate hydrochloride
CAS Number864238-20-0
PubChem CID118704819
IUPAC Namemethyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]-3-phenylpropanoate;hydrochloride
Molecular FormulaC19H29ClN2O4
Molecular Weight384.9
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity437
SMILES
C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC.Cl
InChI
InChI=1S/C19H28N2O4.ClH/c1-13(17(24-2)15-10-7-11-20-15)18(22)21-16(19(23)25-3)12-14-8-5-4-6-9-14;/h4-6,8-9,13,15-17,20H,7,10-12H2,1-3H3,(H,21,22);1H/t13-,15+,16+,17-;/m1./s1
InChIKey
IKNWSNCMBMHJAU-WOLLCHHQSA-N
Chemical Structure
2D Structure
2D structure of (S)-methyl 2-((2R,3R)-3-methoxy-2-methyl-3-((S)-pyrrolidin-2-yl)propanamido)-3-phenylpropanoate hydrochloride
CAS: 864238-20-0
CID: 118704819
Formula: C19H29ClN2O4
MW: 384.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass384.1815851
Monoisotopic Mass384.1815851
Topological Polar Surface Area76.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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