1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]propanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]acetic acid

2.1.2 InChI

InChI=1S/C33H52N4O10/c1-30(2,3)45-21-14-12-20(13-15-21)18-23(36-29(44)47-32(7,8)9)27(42)37-33(10,11)28(43)35-22(26(41)34-19-24(38)39)16-17-25(40)46-31(4,5)6/h12-15,22-23H,16-19H2,1-11H3,(H,34,41)(H,35,43)(H,36,44)(H,37,42)(H,38,39)/t22-,23-/m0/s1

2.1.3 InChI Key

OISJQDFXPMYKBD-GOTSBHOMSA-N

2.2 Other Identifiers

2.2.1 UNII

G9M8F5TM5N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2682040-93-1

2. ((s)-5-(tert-butoxy)-2-(2-((s)-3-(4-(tert-butoxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanamido)-2-methylpropanamido)-5-oxopentanoyl)glycine

3. G9m8f5tm5n

4. Schembl25607236

5. Mfcd35455304

6. G87431

2.4 Create Date

2023-11-09

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₅₂N₄O₁₀
Molecular Weight	664.8 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	19
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	198
Heavy Atom Count	47
Formal Charge	0
Complexity	1110
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

2682040-93-1

2682040-93-1

CHEMISTRY

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