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Also known as: Wy4jv5k93d, (22s)-22,40-dicarboxy-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazatetracontan-1-oyl lysine

Molecular Formula

C₄₂H₇₇N₅O₁₃

Molecular Weight

860.1 g/mol

InChI Key

TWYJHRVWSCUQAQ-ZPGRZCPFSA-N

FDA UNII

WY4JV5K93D

1 2D Structure

Zovaglutide modified lysine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

18-[[(3S)-6-[2-[2-[2-[2-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2,6-dioxohexan-3-yl]amino]-18-oxooctadecanoic acid

2.1.2 InChI

InChI=1S/C42H77N5O13/c1-34(48)36(47-38(50)19-14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-41(53)54)21-22-37(49)45-24-26-57-28-31-60-33-40(52)46-25-27-58-29-30-59-32-39(51)44-23-17-16-18-35(43)42(55)56/h35-36H,2-33,43H2,1H3,(H,44,51)(H,45,49)(H,46,52)(H,47,50)(H,53,54)(H,55,56)/t35-,36-/m0/s1

2.1.3 InChI Key

TWYJHRVWSCUQAQ-ZPGRZCPFSA-N

2.2 Other Identifiers

2.2.1 UNII

WY4JV5K93D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Wy4jv5k93d

2. (22s)-22,40-dicarboxy-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazatetracontan-1-oyl Lysine

2.4 Create Date

2025-03-11

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₇₇N₅O₁₃
Molecular Weight	860.1 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	44
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	271
Heavy Atom Count	60
Formal Charge	0
Complexity	1180
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

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Zovaglutide Modified Lysine

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