(2S,4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

CAS: 630421-46-4

Formula: C16H28N2O6

SMILES: CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(O)=O)C(C)(C)C

IUPAC: (2S,4R)-1-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H28N2O6/c1-15(2,3)11(17-14(23)24-16(4,5)6)12(20)18-8-9(19)7-10(18)13(21)22/h9-11,19H,7-8H2,1-6H3,(H,17,23)(H,21,22)/t9-,10+,11-/m1/s1

Composition: C (55.80%), H (8.19%), N (8.13%), O (27.87%)

Molar Mass: 344.408

Atom Count: 52

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	344.19473663
Formal Charge	0
FSP3	0.81
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	XYXBVELFAOEJDK-OUAUKWLOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.07
Topological Polar Surface Area	116.17
Polarizability	33.85
Ring Count	1
Rotatable Bond Count	6

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