CAS 38675-10-4

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Also known as: 38675-10-4, 138971-65-0, Boc-d-diphenylalanine-l-proline, (2s)-1-[(2r)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid, (s)-1-((r)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid, Boc-d-phel-pro-oh

Molecular Formula

C₁₉H₂₆N₂O₅

Molecular Weight

362.4 g/mol

InChI Key

ZPRHVPHDENDZTP-CABCVRRESA-N

1 2D Structure

CAS 38675-10-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)20-14(12-13-8-5-4-6-9-13)16(22)21-11-7-10-15(21)17(23)24/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,20,25)(H,23,24)/t14-,15+/m1/s1

2.1.3 InChI Key

ZPRHVPHDENDZTP-CABCVRRESA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38675-10-4

2. 138971-65-0

3. Boc-d-diphenylalanine-l-proline

4. (2s)-1-[(2r)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic Acid

5. (s)-1-((r)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)pyrrolidine-2-carboxylic Acid

6. Boc-d-phel-pro-oh

7. Boc-d-phe-l-pro-oh

8. Schembl5900839

9. Zprhvphdendztp-cabcvrresa-n

10. Dtxsid401198018

11. Mfcd00237546

12. Akos022180946

13. At16980

14. Bs-17179

15. Cs-0132984

16. N-[(1,1-dimethylethoxy)carbonyl]-d-phenylalanyl-l-proline

17. (s)-1-((r)-2-(tert-butoxycarbonylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxylic Acid

2.3 Create Date

2005-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₆N₂O₅
Molecular Weight	362.4 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	95.9
Heavy Atom Count	26
Formal Charge	0
Complexity	523
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1