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methyl (1S,2S,3S,4R)-3-[(1R)-1-amino-2-ethylbutyl]-4-[(tert-butoxycarbonyl)amino]-2-hydroxycyclopentane-1-carboxylate

methyl (1S,2S,3S,4R)-3-[(1R)-1-amino-2-ethylbutyl]-4-[(tert-butoxycarbonyl)amino]-2-hydroxycyclopentane-1-carboxylate

CAS: 1988779-13-0

Formula: C18H34N2O5

SMILES: CCC(CC)[C@@H](N)[C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)NC(=O)OC(C)(C)C

IUPAC: methyl (1S,2S,3S,4R)-3-[(1R)-1-amino-2-ethylbutyl]-4-{[(tert-butoxy)carbonyl]amino}-2-hydroxycyclopentane-1-carboxylate

InChI: InChI=1S/C18H34N2O5/c1-7-10(8-2)14(19)13-12(20-17(23)25-18(3,4)5)9-11(15(13)21)16(22)24-6/h10-15,21H,7-9,19H2,1-6H3,(H,20,23)/t11-,12+,13+,14+,15+/m0/s1

Composition: C (60.31%), H (9.56%), N (7.81%), O (22.32%)

Molar Mass: 358.479

Atom Count: 59

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 358.246772203
Formal Charge 0
FSP3 0.89
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey SECXLAHYOAZIGA-NJVJYBDUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.94
Topological Polar Surface Area 110.88
Polarizability 38
Ring Count 1
Rotatable Bond Count 9

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1988779-13-0 $27.74-$326.60$27.74$93.31$326.60
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