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CAS 866044-63-5

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Also known as: 866044-63-5, 2-[(2s)-5-(tert-butoxy)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanamido]acetic acid, (s)-2-(2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanamido)acetic acid, 2-[[(2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]acetic acid, [(2s)-5-(tert-butoxy)-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanamido]acetic acid, Mfcd30475796

Molecular Formula

C₂₆H₃₀N₂O₇

Molecular Weight

482.5 g/mol

InChI Key

PLLNQUBUIXIMLG-NRFANRHFSA-N

1 2D Structure

CAS 866044-63-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]acetic acid

2.1.2 InChI

InChI=1S/C26H30N2O7/c1-26(2,3)35-23(31)13-12-21(24(32)27-14-22(29)30)28-25(33)34-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)/t21-/m0/s1

2.1.3 InChI Key

PLLNQUBUIXIMLG-NRFANRHFSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 866044-63-5

2. 2-[(2s)-5-(tert-butoxy)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanamido]acetic Acid

3. (s)-2-(2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanamido)acetic Acid

4. 2-[[(2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]acetic Acid

5. [(2s)-5-(tert-butoxy)-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanamido]acetic Acid

6. Mfcd30475796

7. Akos030525071

8. Ss-5144

9. Bp-41209

10. Cid 122173524

11. F73343

2.3 Create Date

2016-10-14

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₀N₂O₇
Molecular Weight	482.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	131
Heavy Atom Count	35
Formal Charge	0
Complexity	756
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1