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(2R)-2-[(tert-butoxycarbonyl)amino]-3-[(diphenylmethyl)sulfanyl]propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-[(diphenylmethyl)sulfanyl]propanoic acid

CAS: 21947-97-7

Formula: C21H25NO4S

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[(diphenylmethyl)sulfanyl]propanoic acid

InChI: InChI=1S/C21H25NO4S/c1-21(2,3)26-20(25)22-17(19(23)24)14-27-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1

Composition: C (65.09%), H (6.50%), N (3.61%), O (16.52%), S (8.27%)

Molar Mass: 387.49

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 387.150429463
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AMTHPOXIVDHMLZ-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.74
Topological Polar Surface Area 75.63
Polarizability 41.97
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 21947-97-7 $12.61-$31.53$12.61$31.53
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