Enlicitide Decanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C82H110FN14O15.C10H19O2
Molecular Weight	1722.0907
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCC([O-])=O.COC1=CC=C(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]5CC6=CN(CCCCCCN(CC7=CC=C(CCNC(=O)[C@]8(C)CCCN8C2=O)C=C7)C(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC9=CC=CC(CNC(=O)CO4)=C9)C(=O)N5)C%10=C6C=C(F)C=C%10)[C@@H](C)O)C=C1

InChI

InChIKey=ZMLCOVYFOZPADV-QQCDJELVSA-N

InChI=1S/C82H109FN14O15.C10H20O2/c1-51-74(103)91-65(47-86-68(99)19-11-10-14-40-97(4,5)6)76(105)88-62-43-56-17-15-18-57(41-56)46-85-70(101)50-112-67-33-39-95-73(67)78(107)92-72(52(2)98)77(106)90-63(42-54-24-27-60(111-7)28-25-54)80(109)96-38-16-34-82(96,3)81(110)84-35-32-53-20-22-55(23-21-53)48-94(71(102)31-30-69(100)87-51)37-13-9-8-12-36-93-49-58(44-64(79(95)108)89-75(62)104)61-45-59(83)26-29-66(61)93;1-2-3-4-5-6-7-8-9-10(11)12/h15,17-18,20-29,41,45,49,51-52,62-65,67,72-73,98H,8-14,16,19,30-40,42-44,46-48,50H2,1-7H3,(H8-,84,85,86,87,88,89,90,91,92,99,100,101,103,104,105,106,107,110);2-9H2,1H3,(H,11,12)/t51-,52+,62-,63-,64-,65+,67-,72-,73-,82-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Enlicitide Decanoate

Official Name

English

MK-0616

Preferred Name

English

ENLICITIDE DECANOATE [USAN]

Common Name

English

L-Alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy-L-prolyl-L-threonyl-O-methyl-L-t

Systematic Name

English

L -Proline, L -alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]- D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]- L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy- L-prolyl- L-thre

Systematic Name

English

Code System Code Type Description

CAS

2861205-06-1