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methyl (2S)-1-[(2S)-3-methyl-2-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2S)-3-methyl-2-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate

CAS: 147859-80-1

Formula: C19H31N3O6

SMILES: CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(=O)OC

IUPAC: methyl (2S)-1-[(2S)-3-methyl-2-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate

InChI: InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11?,12-,13-,14-,15-/m0/s1

Composition: C (57.42%), H (7.86%), N (10.57%), O (24.15%)

Molar Mass: 397.472

Atom Count: 59

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 397.22128573
Formal Charge 0
FSP3 0.79
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XGWSRLSPWIEMLQ-RQLZCWDZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.34
Topological Polar Surface Area 117.34
Polarizability 39.48
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 147859-80-1 $95.84-$544.75$95.84$161.41$284.99$544.75
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