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(3S)-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-(methylamino)propanoic acid

(3S)-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-(methylamino)propanoic acid

CAS: 261943-16-2

Formula: C15H20N2O5

SMILES: CN[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

IUPAC: (3S)-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-(methylamino)propanoic acid

InChI: InChI=1S/C15H20N2O5/c1-16-11(9-13(18)19)14(20)17-12(15(21)22-2)8-10-6-4-3-5-7-10/h3-7,11-12,16H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t11-,12-/m0/s1

Composition: C (58.43%), H (6.54%), N (9.09%), O (25.94%)

Molar Mass: 308.334

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 308.137221752
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey ZSKSFLCYJLNZFJ-RYUDHWBXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.99
Topological Polar Surface Area 104.73
Polarizability 30.98
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 261943-16-2 $2,816.00-$4,224.00$2,816.00$4,224.00
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