CTP-518

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H52N6O7
Molecular Weight	719.9479
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[2H]C([2H])([2H])OC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC2=CC=C(C=C2)C3=CC=CC=N3)C(C)(C)C

InChI

InChIKey=AXRYRYVKAWYZBR-ILCNTUBFSA-N

InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3,7D3,8D3

HIDE SMILES / InChI

Molecular Formula	C38H52N6O7
Molecular Weight	719.9479
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:48:18 GMT 2025` Edited by `admin` on `Mon Mar 31 18:48:18 GMT 2025`
Record UNII	F9UZ89CQYY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,14-Di(methyl-d3) (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate

Preferred Name

English

CTP-518

Code

English

2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-di(methyl-d3) ester, (3S,8S,9S,12S)-

Systematic Name

English

Code System Code Type Description

CAS

1313183-89-9