BORTEZOMIB BORONIC ANHYDRIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H69B3N12O9
Molecular Weight	1098.666
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BORTEZOMIB BORONIC ANHYDRIDE

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)B3OB(OB(O3)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=NC=CN=C5)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)C7=NC=CN=C7

InChI

InChIKey=YVBHFXUJMLXLKP-INZJBPCBSA-N

InChI=1S/C57H69B3N12O9/c1-37(2)28-49(70-52(73)43(31-40-16-10-7-11-17-40)67-55(76)46-34-61-22-25-64-46)58-79-59(50(29-38(3)4)71-53(74)44(32-41-18-12-8-13-19-41)68-56(77)47-35-62-23-26-65-47)81-60(80-58)51(30-39(5)6)72-54(75)45(33-42-20-14-9-15-21-42)69-57(78)48-36-63-24-27-66-48/h7-27,34-39,43-45,49-51H,28-33H2,1-6H3,(H,67,76)(H,68,77)(H,69,78)(H,70,73)(H,71,74)(H,72,75)/t43-,44-,45-,49-,50-,51-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C57H69B3N12O9
Molecular Weight	1098.666
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:32:24 UTC 2023` Edited by `admin` on `Sat Dec 16 09:32:24 UTC 2023`
Record UNII	264LX948L0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BORTEZOMIB BORONIC ANHYDRIDE

Common Name

English

2-PYRAZINECARBOXAMIDE, N,N',N''-(2,4,6-BOROXINTRIYLTRIS(((1R)-3-METHYLBUTYLIDENE)IMINO((1S)-2-OXO-1-(PHENYLMETHYL)-2,1-ETHANEDIYL)))TRIS-

Systematic Name

English

N,N',N''-((2S,2'S,2''S)-(((1R,1'R,1''R)-(1,3,5,2,4,6-TRIOXATRIBORINANE-2,4,6-TRIYL)TRIS(3-METHYLBUTANE-1,1-DIYL))TRIS(AZANEDIYL))TRIS(1-OXO-3-PHENYLPROPANE-1,2-DIYL))TRIS(PYRAZINE-2-CARBOXAMIDE)

Systematic Name

English

PYRAZINECARBOXAMIDE, N,N',N''-(2,4,6-BOROXINTRIYLTRIS(((1R)-3-METHYLBUTYLIDENE)IMINO((1S)-2-OXO-1-(PHENYLMETHYL)-2,1-ETHANEDIYL)))TRIS-

Systematic Name

English

Code System Code Type Description

PUBCHEM

60071654

Created by admin on Sat Dec 16 09:32:24 UTC 2023 , Edited by admin on Sat Dec 16 09:32:24 UTC 2023

PRIMARY

CAS

390800-88-1

Created by admin on Sat Dec 16 09:32:24 UTC 2023 , Edited by admin on Sat Dec 16 09:32:24 UTC 2023

PRIMARY

FDA UNII

264LX948L0

Created by admin on Sat Dec 16 09:32:24 UTC 2023 , Edited by admin on Sat Dec 16 09:32:24 UTC 2023

PRIMARY

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