FLOVAGATRAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36BN3O7
Molecular Weight	525.402
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)B(O)O

InChI

InChIKey=PAOGOXGDGABPSC-SGNDLWITSA-N

InChI=1S/C27H36BN3O7/c1-37-17-9-15-24(28(35)36)30-25(32)23-14-8-16-31(23)26(33)22(18-20-10-4-2-5-11-20)29-27(34)38-19-21-12-6-3-7-13-21/h2-7,10-13,22-24,35-36H,8-9,14-19H2,1H3,(H,29,34)(H,30,32)/t22-,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H36BN3O7
Molecular Weight	525.402
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:37:24 UTC 2023` Edited by `admin` on `Fri Dec 15 17:37:24 UTC 2023`
Record UNII	2WA50NUH6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLOVAGATRAN

Official Name

English

(1R)-1-(N-((BENZYLOXY)CARBONYL)-D-PHENYLALANYL-L-PROLINAMIDO)BUTYLBORONIC ACID

Systematic Name

English

flovagatran [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29750