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(2S,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

(2S,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

CAS: 2380273-25-4

Formula: C23H32N4O3S

SMILES: C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](N)C(C)(C)C)C1=CC=C(C=C1)C1=C(C)N=CS1

IUPAC: (2S,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

InChI: InChI=1S/C23H32N4O3S/c1-13(15-6-8-16(9-7-15)19-14(2)25-12-31-19)26-21(29)18-10-17(28)11-27(18)22(30)20(24)23(3,4)5/h6-9,12-13,17-18,20,28H,10-11,24H2,1-5H3,(H,26,29)/t13-,17-,18-,20+/m0/s1

Composition: C (62.14%), H (7.26%), N (12.60%), O (10.80%), S (7.21%)

Molar Mass: 444.59

Atom Count: 63

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 444.21951208
Formal Charge 0
FSP3 0.52
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey JOSFQWNOUSNZBP-HKVPTBLXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.67
Topological Polar Surface Area 108.55
Polarizability 48.58
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 2380273-25-4 $1,200.00$1,200.00
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