2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3-(1,1-DIMETHYLETHYL)-12-(1,1-DIMETHYL-2-OXOETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((4-(2-PYRIDINYL)PHENYL)METHYL)-, 1,14-DIMETHYL ESTER, (3S,8S,9S,12S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H50N6O8
Molecular Weight	718.839
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3-(1,1-DIMETHYLETHYL)-12-(1,1-DIMETHYL-2-OXOETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((4-(2-PYRIDINYL)PHENYL)METHYL)-, 1,14-DIMETHYL ESTER, (3S,8S,9S,12S)-

Structure Search

SMILES

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

InChI

InChIKey=PGALKLDIEXFBCO-GASGPIRDSA-N

InChI=1S/C38H50N6O8/c1-37(2,3)31(41-35(49)51-6)34(48)43-44(22-26-16-18-27(19-17-26)28-15-11-12-20-39-28)23-30(46)29(21-25-13-9-8-10-14-25)40-33(47)32(38(4,5)24-45)42-36(50)52-7/h8-20,24,29-32,46H,21-23H2,1-7H3,(H,40,47)(H,41,49)(H,42,50)(H,43,48)/t29-,30-,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H50N6O8
Molecular Weight	718.839
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 21:23:12 GMT 2025` Edited by `admin` on `Mon Mar 31 21:23:12 GMT 2025`
Record UNII	66618465IO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3-(1,1-DIMETHYLETHYL)-12-(1,1-DIMETHYL-2-OXOETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((4-(2-PYRIDINYL)PHENYL)METHYL)-, 1,14-DIMETHYL ESTER, (3S,8S,9S,12S)-

Common Name

English

ATAZANAVIR METABOLITE M13

Preferred Name

English

Code System Code Type Description

PUBCHEM

72710767

Created by admin on Mon Mar 31 21:23:12 GMT 2025 , Edited by admin on Mon Mar 31 21:23:12 GMT 2025

PRIMARY

FDA UNII

66618465IO

Created by admin on Mon Mar 31 21:23:12 GMT 2025 , Edited by admin on Mon Mar 31 21:23:12 GMT 2025

PRIMARY

CAS

1463472-89-0

Created by admin on Mon Mar 31 21:23:12 GMT 2025 , Edited by admin on Mon Mar 31 21:23:12 GMT 2025

PRIMARY